SCHEMBL8902134

SCHEMBL8902134

CC1(C)C=Cc2cc(-c3ccccc3[PH](=O)O)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 11/20 0.39
EPAS1 Q99814 11/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 1/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
CA1 P00915 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CA7 P43166 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL8902131 0.79 ALDH1A1 (0.42) HIF1AEPAS1ALDH1A1HPGDCYP3A4
SCHEMBL9092301 0.72 HIF1A (0.48) HIF1AEPAS1ALDH1A1HPGDCYP3A4
SCHEMBL9092213 0.68 HIF1A (0.44) HIF1AEPAS1ALDH1A1HPGDCYP3A4
SCHEMBL30140565 0.67 XDH (0.68) HIF1AEPAS1ALDH1A1HPGDCYP3A4
SCHEMBL8723354 0.67 XDH (0.68) HIF1AEPAS1ALDH1A1HPGDCYP3A4
SCHEMBL482234 0.67 COXFA4 (0.49) HIF1AEPAS1ALDH1A1HPGDCYP3A4
SCHEMBL9092178 0.67 HIF1A (0.46) HIF1AEPAS1COXFA4
SCHEMBL22604347 0.67 HIF1A (0.36) HIF1AEPAS1ALDH1A1HPGDCA12
SCHEMBL9092059 0.67 HIF1A (0.40) HIF1AEPAS1ALDH1A1HPGDCYP3A4
SCHEMBL1748567 0.66 HTR2C (0.49) HIF1AEPAS1ALDH1A1HPGDCYP3A4

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-5612323-A ANTIISCHEMIC BRISTOL-MYERS SQUIBB COMPANY (US) 1997-03-18 US disclosed