SCHEMBL9639696

SCHEMBL9639696

COC(=O)C1(C(=O)OC)C=CC(C=Cc2ccccc2)=CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MMP1 P03956 4/20 0.37
MMP2 P08253 4/20 0.37
MMP9 P14780 4/20 0.37
EGFR P00533 3/20 0.37
CMA1 P23946 1/20 0.37
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC1 Q13547 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GLA P06280 2/20 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
SCHEMBL10360740 0.85 RAD51 (0.40) ALDH1A1MMP1MMP2MMP9EGFR
SCHEMBL27447417 0.84 HDAC1 (0.38) ALDH1A1MMP1MMP2MMP9EGFR
SCHEMBL5082374 0.84 HDAC1 (0.38) ALDH1A1MMP1MMP2MMP9EGFR
SCHEMBL809497 0.84 HDAC1 (0.38) ALDH1A1MMP1MMP2MMP9EGFR
Hydrochloric Acid SCHEMBL9546945 0.83 HDAC1 (0.37) ALDH1A1MMP1MMP2MMP9EGFR
SCHEMBL3090330 0.82 LMNA (0.47) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL3090328 0.82 LMNA (0.47) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL9546943 0.82 HDAC1 (0.36) ALDH1A1MMP1MMP2MMP9EGFR
Alcohol SCHEMBL29274513 0.81 L3MBTL1 (0.36) ALDH1A1MMP1MMP2MMP9EGFR
SCHEMBL8323405 0.78 TRPA1 (0.38) ALDH1A1MMP1MMP2MMP9EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164100-A Stilbene unit incorporated into polyester LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1992-11-17 US disclosed