SCHEMBL10874229

SCHEMBL10874229

CC[C@]12C[C@H](Cl)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(O)C#CCl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 12/20 0.56
▸ AR P10275 11/20 0.56
▸ NR3C1 P04150 9/20 0.56
▸ LMNA P02545 5/20 0.56
▸ CYP3A4 P08684 5/20 0.56
▸ SLC6A4 P31645 4/20 0.56
▸ ESR1 P03372 4/20 0.56
▸ SHBG P04278 3/20 0.56
▸ ABCB11 O95342 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ OPRM1 P35372 2/20 0.52
▸ TSHR P16473 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ NR3C2 P08235 1/20 0.44

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
SCHEMBL1843682 0.84 PGR (0.78) PGRARNR3C1LMNACYP3A4
SCHEMBL11858281 0.84 PGR (0.78) PGRARNR3C1LMNACYP3A4
SCHEMBL10873501 0.84 PGR (0.49) PGRARNR3C1LMNACYP3A4
SCHEMBL10872314 0.83 PGR (0.44) PGRARNR3C1LMNACYP3A4
SCHEMBL11044513 0.80 PGR (0.56) PGRARNR3C1LMNACYP3A4
SCHEMBL11317752 0.80 PGR (0.80) PGRARNR3C1LMNACYP3A4
SCHEMBL10873247 0.80 LMNA (0.47) PGRARNR3C1LMNACYP3A4
SCHEMBL10596154 0.79 PGR (0.54) PGRARNR3C1LMNACYP3A4
SCHEMBL11862865 0.79 PGR (0.66) PGRARNR3C1LMNACYP3A4
SCHEMBL20851736 0.79 PGR (0.72) PGRARNR3C1LMNACYP3A4

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
EP-0092173-B1 11-BETA-CHLOROSTEROIDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1986-03-05 — — EP claimed
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