SCHEMBL8992888

SCHEMBL8992888

COc1cc(CO)ccc1Cc1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR2 P34972 4/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
GPR55 Q9Y2T6 2/20 0.43
CNR1 P21554 1/20 0.43
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
CA2 P00918 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
SCHEMBL8993260 0.85 TTR (0.50) MEN1LMNAPOLBKMT2ACNR2
SCHEMBL8992924 0.83 CNR2 (0.45) MEN1POLBKMT2ACNR2GAA
SCHEMBL8993391 0.81 CNR2 (0.44) MEN1LMNAPOLBKMT2ACNR2
SCHEMBL8993275 0.81 CNR1 (0.44) LMNACNR2TSHRCNR1PDCD1
SCHEMBL22800044 0.80 CA2 (0.52) CNR2GAAMAPTTSHRMAPK1
SCHEMBL8992814 0.80 TUBB4A (0.47) LMNACNR2GAAMAPTTSHR
SCHEMBL3411267 0.79 RAB9A (0.60) MEN1LMNAPOLBKMT2AGAA
SCHEMBL20200250 0.78 PDCD1 (0.51) POLBGAAMAPTTSHRMAPK1
SCHEMBL31280574 0.78 PDCD1 (0.51) POLBGAAMAPTTSHRMAPK1
SCHEMBL8035410 0.78 CNR2 (0.55) CNR2GAAMAPTGPR55CNR1

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