SCHEMBL8409403

SCHEMBL8409403

CCOC1=CC2=CC[C@@H]3[C@H]([C@@H](c4ccc(OC)cc4)C[C@]4(C)C(=O)CC[C@@H]34)[C@H]2CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP19A1 P11511 17/20 0.36
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ AR P10275 1/20 0.33

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
SCHEMBL8409113 0.89 SRD5A2 (0.39) SRD5A2CYP19A1NR3C1PGRAR
SCHEMBL8407060 0.88 SRD5A2 (0.38) SRD5A2LMNAMAPTHSD17B1RECQL
SCHEMBL6841930 0.84 SRD5A2 (0.44) SRD5A2LMNACYP19A1
SCHEMBL9811534 0.81 SRD5A2 (0.41) SRD5A2CYP19A1
SCHEMBL8624910 0.79 NR3C1 (0.52) NR3C1PGRAR
SCHEMBL17831186 0.78 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL17591557 0.78 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL15079264 0.78 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL6379452 0.78 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL4588303 0.77 SRD5A2 (0.48) SRD5A2LMNAMAPTCYP19A1

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-0565553-B1 6,7-MODIFIED 11$g(b)-ARYL-4-ESTRENES SCHERING AG (DE) 1999-07-21 — — EP disclosed
US-5843931-A 6,7-modified 11β-aryl-4-oestrenes SHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 — — US disclosed
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