SCHEMBL6445870

SCHEMBL6445870

CC(=O)c1ccccc1CCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 3/20 0.39
FOLH1 Q04609 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B1 P14061 1/20 0.38
BCAT2 O15382 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NOD2 Q9HC29 1/20 0.37
HTT P42858 1/20 0.37
PBRM1 Q86U86 1/20 0.37
MEN1 O00255 1/20 0.37
NSD2 O96028 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL14397902 0.83 ALDH1A1 (0.46) LMNAALDH1A1KDM4ESMN1; SMN2TSHR
Acetic Acid SCHEMBL27629972 0.83 FOLH1 (0.53) ALDH1A1KDM4ESMN1; SMN2TSHRFOLH1
SCHEMBL8579457 0.82 LMNA (0.46) LMNAALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL254888 0.82 HSD17B1 (0.48) LMNAALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3145510 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TSHRFOLH1HTT
SCHEMBL1879310 0.82 GABRA1 (0.43) LMNAALDH1A1KDM4ESMN1; SMN2HPGD
Methyl Alcohol SCHEMBL27864731 0.81 FOLH1 (0.55) LMNAALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL26162757 0.80 GABRA1 (0.42) LMNAALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL602386 0.80 FOLH1 (0.59) ALDH1A1KDM4ESMN1; SMN2TSHRFOLH1
SCHEMBL152624 0.80 ALDH1A1 (0.50) LMNAALDH1A1TSHRFOLH1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118745126-A Synthesis method of p-chloromethyl styrene 北京联本医药化学技术有限公司 2024-10-08 CN disclosed
EP-3960754-A2 ALPHA4BETA7 INTEGRIN THIOETHER PEPTIDE ANTAGONISTS Protagonist Therapeutics, Inc. (US) 2022-03-02 EP disclosed
EP-3143037-B1 ALPHA4BETA7 INTEGRIN THIOETHER PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS INC (US) 2021-06-23 EP disclosed
EP-1224195-B1 C-ARYL GLUCOSIDE SGLT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-05-18 EP disclosed
EP-1224195-A1 C-ARYL GLUCOSIDE SGLT2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 EP disclosed
WO-2001027128-A1 C-ARYL GLUCOSIDE SGLT2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 WO disclosed
WO-2000075094-A2 METHOD FOR PRODUCING A HALOGENATED ACETOPHENONE ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-12-14 WO disclosed