SCHEMBL8768994

SCHEMBL8768994

COc1ccc([C@H]2C[C@]3(C)C(=O)CC=C3[C@@H]3CC=C4CC5(CC[C@@H]4[C@@H]23)OCCO5)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL8767953 0.80 PARP1 (0.31) PARP1ALDH1A1KMT2APOLBCYP3A4
SCHEMBL8653835 0.79 MAPT (0.46) HSD17B1POLBMAPTCYP3A4CYP2C19
SCHEMBL8768977 0.76 PARP1 (0.32) PARP1ALDH1A1MEN1KMT2APOLB
SCHEMBL8768877 0.76 PARP1 (0.32) PARP1ALDH1A1MEN1KMT2APOLB
SCHEMBL8407252 0.75 PGR (0.37) PARP1POLBMAPT
SCHEMBL8768992 0.73 PGR (0.32) PARP1
SCHEMBL8769024 0.73 PGR (0.30) POLBMAPT
SCHEMBL8768957 0.71 ESR2 (0.31) —
SCHEMBL8768906 0.71 — —
SCHEMBL9173750 0.70 NR3C1 (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567469-B1 14beta-H-, 14- AND 15-EN-11beta-ARYL-4-ESTRENES SCHERING AG (DE) 1997-08-27 — — EP disclosed
US-5426102-A Antigestagenic, antiandrogenic, antiglucocorticoid, antimineralcorticoid properties SCHERING AKTIENGESELLSCHAFT (DE) 1995-06-20 — — US disclosed
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