SCHEMBL8523319

SCHEMBL8523319

CC1C(Oc2ccc(OC(F)(F)F)cc2)C2N(C)C(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3[C@H]12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
SLC6A4 P31645 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HCRTR1 O43613 3/20 0.31
HCRTR2 O43614 3/20 0.31
LIPE Q05469 2/20 0.31

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
SCHEMBL8523590 0.92 MMP12 (0.33) MMP12MMP13
SCHEMBL8522770 0.90 PLA2G7 (0.33)
SCHEMBL8523662 0.89 STS (0.30)
SCHEMBL8996733 0.89 STS (0.30)
SCHEMBL8523449 0.88 SRD5A1 (0.33)
SCHEMBL8523677 0.88 STS (0.32)
SCHEMBL8524175 0.88 SRD5A1 (0.36)
SCHEMBL8522918 0.88
SCHEMBL8523925 0.87 TRPC6 (0.35)
SCHEMBL8524254 0.87 EPHX2 (0.30)

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 8 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-0792371-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1998-12-30 EP claimed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 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
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed
EP-0724592-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO. INC. (US) 1996-08-07 EP disclosed
WO-1995011254-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-04-27 WO disclosed