SCHEMBL2264249

SCHEMBL2264249

CCCC(CC)COC(=O)C(C)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.49
TSHR P16473 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
ATM Q13315 1/20 0.49
RECQL P46063 1/20 0.44
ALDH1A1 P00352 5/20 0.42
CA2 P00918 4/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
LMNA P02545 3/20 0.39
MAPK1 P28482 3/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 2/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MAPT P10636 1/20 0.34
MMP9 P14780 1/20 0.33

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
SCHEMBL30350113 0.89 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL15437967 0.89 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL358454 0.89 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL5198333 0.89 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL26277306 0.87 TSHR (0.41) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL14270880 0.87 TSHR (0.41) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL536374 0.86 TSHR (0.43) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL26363677 0.84 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL18856352 0.84 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMRECQL
Lactic Acid SCHEMBL28099913 0.84 CYP3A4 (0.58) CYP3A4TSHRTDP1ATMRECQL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118510877-A Cleaning composition for pretreatment of metal substrates, method for the production thereof and use thereof 巴斯夫涂料有限公司 2024-08-16 CN disclosed
WO-2023131530-A1 A CLEANING COMPOSITION FOR METAL SUBSTRATES PRETREATMENT AND ITS PREPARATION METHOD AND APPLICATION THEREOF BASF COATINGS GMBH (DE) 2023-07-13 WO disclosed
US-8741809-B2 Liquid pyraclostrobin-containing crop protection formulations BASF SE (DE) 2014-06-03 US disclosed
US-20110195846-A1 Liquid Pyraclostrobin-Containing Crop Protection Formulations BASF SE (DE) 2011-08-11 US disclosed