SCHEMBL8993165

SCHEMBL8993165

COc1cccc(COS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
MAOB P27338 3/20 0.50
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TAS2R14 Q9NYV8 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL4947525 0.88 CYP19A1 (0.53) LMNAIDO1L3MBTL1BCHEACHE
SCHEMBL1681203 0.86 HTT (0.54) L3MBTL1BCHEACHEHTTALDH1A1
SCHEMBL8434521 0.86 L3MBTL1 (0.48) PKMLMNAPOLBMAOBIDO1
SCHEMBL3960748 0.86 CHRM2 (0.49) PKMLMNAPOLBMAOBL3MBTL1
SCHEMBL5870558 0.85 IDO1 (0.50) LMNAMAOBIDO1L3MBTL1BCHE
SCHEMBL27773926 0.84 IDO1 (0.49) LMNAPOLBMAOBIDO1AGXT
SCHEMBL31719380 0.84 MEN1 (0.47) PKMLMNAPOLBL3MBTL1TAS2R14
SCHEMBL10836094 0.84 CHRM2 (0.50) PKMLMNAPOLBL3MBTL1TAS2R14
SCHEMBL3732735 0.83 CA12 (0.44) PKMLMNAPOLBMAOBALDH1A1
SCHEMBL5870597 0.82 ALDH1A1 (0.57) PKMLMNABCHEACHEHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1036919-C Pyrazole condensed ring derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMA CO LTD (JP) 1998-01-07 CN disclosed
US-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
CN-1089609-A Pyrazole-fused ring derivatives, its manufacture method and male hormone inhibitor OTSUKA PHARMA CO LTD (JP) 1994-07-20 CN disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed