SCHEMBL8536118

SCHEMBL8536118

C[C@]12C[C@H](c3ccc(-c4ccccn4)cc3)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(O)CC#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 12/20 0.51
▸ NR3C1 P04150 10/20 0.51
▸ AR P10275 8/20 0.51
▸ CYP3A4 P08684 3/20 0.47
▸ LMNA P02545 2/20 0.39
▸ ABCB11 O95342 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ SHBG P04278 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ CHRM2 P08172 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ TBXA2R P21731 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36

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
SCHEMBL8767943 0.76 PGR (0.51) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8541047 0.76 PGR (0.48) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8536181 0.75 PGR (0.49) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8768109 0.75 PGR (0.47) PGRNR3C1ARCYP3A4LMNA
SCHEMBL9226144 0.73 CYP3A4 (0.69) PGRNR3C1ARCYP3A4LMNA
SCHEMBL7200581 0.73 PGR (0.50) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8409143 0.72 PGR (0.42) PGRNR3C1ARCYP3A4LMNA
SCHEMBL9019799 0.72 NR3C1 (0.63) PGRNR3C1ARCYP3A4LMNA
SCHEMBL23131212 0.72 PGR (0.56) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8639950 0.72 PGR (0.35) PGRNR3C1ARCYP3A4

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
US-5843933-A 11β-aryl-4-estrenes, process for their production as well as their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 — — US disclosed
US-5728689-A ANTIGESTAGENIC EFFECT SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-17 — — US disclosed
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