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SCHEMBL8523847

SCHEMBL8523847

CC1CC2N(C)C(=O)CC(F)[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3[C@H]12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 4/20 0.36
▸ SRD5A2 P31213 4/20 0.36
▸ MBOAT4 Q96T53 2/20 0.32
▸ CYP19A1 P11511 3/20 0.31
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30
▸ SHBG P04278 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
SCHEMBL8523105 0.87 SHBG (0.36) SRD5A1SRD5A2MBOAT4SHBG
SCHEMBL8522986 0.85 SRD5A1 (0.35) SRD5A1SRD5A2MBOAT4
SCHEMBL8639064 0.84 SRD5A1 (0.34) SRD5A1SRD5A2
SCHEMBL8523422 0.84 MBOAT4 (0.34) SRD5A1SRD5A2MBOAT4
SCHEMBL8524211 0.80 SRD5A1 (0.34) SRD5A1SRD5A2CYP19A1
SCHEMBL8633124 0.80 SRD5A1 (0.33) SRD5A1SRD5A2CYP19A1
SCHEMBL8523652 0.80 SRD5A1 (0.33) SRD5A1SRD5A2
SCHEMBL8637459 0.79 ALDH1A1 (0.35) SRD5A1SRD5A2
SCHEMBL9005677 0.79 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL9005680 0.79 SRD5A1 (0.56) SRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786999-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1999-01-20 — — EP claimed
EP-0786999-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-08-06 — — EP claimed
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 — — WO claimed