SCHEMBL488779

SCHEMBL488779

CC(=O)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SLC2A1 P11166 1/20 0.37
GAA P10253 4/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
THRB P10828 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PKM P14618 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TSHR P16473 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30553986 1.00 DPP4 (0.38) DPP4ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL30765124 0.87 CES2 (0.39) ALDH1A1KDM4EMEN1LMNAHTT
SCHEMBL5805576 0.87 CES2 (0.39) ALDH1A1KDM4EMEN1LMNAHTT
SCHEMBL15400757 0.86 DPP4 (0.34) DPP4ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL29443058 0.83 PKM (0.41) DPP4ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL22905069 0.83 PKM (0.41) DPP4ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL3101770 0.83 NOTUM (0.37) DPP4ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL28579723 0.83 DPP4 (0.40) DPP4ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL3735504 0.82 DPP4 (0.43) DPP4ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL1358784 0.81 DPP4 (0.54) DPP4ALDH1A1KDM4EHSD17B10SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 392 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250368967-A1 KETOREDUCTASE POLYPEPTIDES FOR THE REDUCTION OF ACETOPHENONES CODEXIS, INC. (US) 2025-12-04 US claimed
US-12415990-B2 Ketoreductase polypeptides for the reduction of acetophenones CODEXIS, INC. (US) 2025-09-16 US claimed
CN-119662581-A Carbonyl reductase BsCR mutant, engineering bacterium and application of chiral intermediate for synthesizing crizotinib 浙江工业大学 2025-03-21 CN claimed
CN-116496140-B Preparation method of tenidine drug intermediate 凯特立斯(深圳)科技有限公司 2025-03-04 CN claimed
CN-118771968-B Method for separating and utilizing 2, 4-dichloro-5-fluoro acetophenone mother liquor 山东国邦药业有限公司 2025-01-28 CN claimed
CN-117402055-B Resource utilization method of 2, 4-dichloro-5-fluoroacetophenone mother liquor 浙江吉泰新材料股份有限公司 2024-10-29 CN claimed
CN-114213630-B Mannich modified amine epoxy resin curing agent and preparation method thereof 上海船舶工艺研究所(中国船舶集团有限公司第十一研究所) 2024-04-05 CN claimed
CN-117736083-A Method for preparing 2, 4-dichloro-5-fluorobenzoic acid and 2, 6-dichloro-3-fluorobenzoic acid by taking 2, 4-dichloro-5-fluoroacetophenone crystallization mother liquor as raw material 浙江工业大学 2024-03-22 CN claimed
CN-117486674-A Comprehensive utilization method of 2, 4-dichloro-5-fluoroacetophenone crystallization mother liquor 浙江工业大学 2024-02-02 CN claimed
CN-117402055-A Resource utilization method of 2, 4-dichloro-5-fluoroacetophenone mother liquor 浙江吉泰新材料股份有限公司 2024-01-16 CN claimed
US-20130344552-A1 KETOREDUCTASE POLYPEPTIDES FOR THE REDUCTION OF ACETOPHENONES CODEXIS, INC. (US) 2013-12-26 US claimed
EP-2198018-B1 KETOREDUCTASE POLYPEPTIDES FOR THE REDUCTION OF ACETOPHENONES CODEXIS INC (US) 2013-11-20 EP claimed
US-8512973-B2 Methods of using engineered ketoreductase polypeptides for the stereoselective reduction of acetophenones CODEXIS, INC. (US) 2013-08-20 US claimed
US-20130078692-A1 KETOREDUCTASE POLYPEPTIDES FOR THE REDUCTION OF ACETOPHENONES CODEXIS, INC. (US) 2013-03-28 US claimed
EP-2198018-A2 KETOREDUCTASE POLYPEPTIDES FOR THE REDUCTION OF ACETOPHENONES Codexis, Inc. (US) 2010-06-23 EP claimed
US-20090191605-A1 Ketoreductase Polypeptides for the Reduction of Acetophenones CODEXIS, INC. (US) 2009-07-30 US claimed
WO-2009036404-A2 KETOREDUCTASE POLYPEPTIDES FOR THE REDUCTION OF ACETOPHENONES CODEXIS, INC. (US) 2009-03-19 WO claimed
EP-1791965-A1 ENANTIOSELECTIVE BIOTRANSFORMATION FOR PREPARATION OF PROTEIN TYROSINE KINASE INHIBITOR INTERMEDIATES Pfizer, Inc. (US) 2007-06-06 EP claimed
WO-2006021885-A1 ENANTIOSELECTIVE BIOTRANSFORMATION FOR PREPARATION OF PROTEIN TYROSINE KINASE INHIBITOR INTERMEDIATES PFIZER INC. (US) 2006-03-02 WO claimed
US-20060046287-A1 Enantioselective biotransformation for preparation of protein tyrosine kinase inhibitor intermediates AGOURON PHARMACEUTICALS, INC. 2006-03-02 US claimed