SCHEMBL8993275

SCHEMBL8993275

COc1cc(CO)ccc1Cc1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 1/20 0.41
MAOB P27338 1/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 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
SCHEMBL8993377 0.85 CNR1 (0.49) CNR1CNR2
SCHEMBL8992924 0.84 CNR2 (0.45) CNR2PDCD1CD274CA2TSHR
SCHEMBL8993099 0.82 CNR2 (0.44) CNR1CNR2CA2LMNATP53
SCHEMBL8993034 0.81 TAAR1 (0.41) CNR1CNR2
SCHEMBL8992888 0.81 MEN1 (0.44) CNR1CNR2PDCD1CD274CA2
SCHEMBL8992814 0.78 TUBB4A (0.47) CNR2CA2LMNATSHR
SCHEMBL25703692 0.78 ALDH1A1 (0.49) CNR1CNR2CA2LMNATP53
SCHEMBL11292100 0.78 CA2 (0.71) CA2LMNATP53HPGDTSHR
SCHEMBL20200250 0.77 PDCD1 (0.51) PDCD1CD274CA2TSHRACHE
SCHEMBL31280574 0.77 PDCD1 (0.51) PDCD1CD274CA2TSHRACHE

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