SCHEMBL8639398

SCHEMBL8639398

CC1CC2N(C)C(=O)CC(Oc3ccc(C(F)(F)F)cc3)[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3[C@H]12

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.30
MMP13 P45452 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
SCHEMBL8642307 0.89 SRD5A1 (0.32)
SCHEMBL8996754 0.89 SRD5A1 (0.31)
SCHEMBL8633124 0.88 SRD5A1 (0.33)
SCHEMBL8636806 0.86 GPR119 (0.33)
SCHEMBL8637608 0.86 TRPC6 (0.34)
SCHEMBL8523650 0.85
SCHEMBL8632775 0.85
SCHEMBL8679405 0.82 OPRM1 (0.34)
SCHEMBL8639064 0.82 SRD5A1 (0.34)
SCHEMBL8677090 0.82 CHRNB2 (0.32)

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-0792371-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1998-12-30 EP disclosed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 EP disclosed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO disclosed