SCHEMBL8992924

SCHEMBL8992924

COc1cc(CO)ccc1Cc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CA2 P00918 1/20 0.43
HTR2A P28223 1/20 0.43
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8992814 0.87 TUBB4A (0.47) CNR2GAAMAPTTSHRMAPK1
SCHEMBL8993275 0.84 CNR1 (0.44) CNR2TSHRCA2PDCD1CD274
SCHEMBL8993206 0.83 TTR (0.46) CNR2GAAMAPTTSHRMAPK1
SCHEMBL8992888 0.83 MEN1 (0.44) CNR2GAAMAPTTSHRMAPK1
SCHEMBL15889627 0.83 HTR2A (0.43) CNR2GAAHTR2AMEN1KMT2A
SCHEMBL20200250 0.82 PDCD1 (0.51) GAAMAPTTSHRMAPK1HTT
SCHEMBL31280574 0.82 PDCD1 (0.51) GAAMAPTTSHRMAPK1HTT
SCHEMBL8993322 0.80 CNR2 (0.45) CNR2GAAMAPTTSHRMAPK1
SCHEMBL14539627 0.79 CYP4F2 (0.45) GAATSHRHTTCA2PDCD1
SCHEMBL8993377 0.78 CNR1 (0.49) CNR2HTR2AMEN1KMT2A

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
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
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed