SCHEMBL8993057

SCHEMBL8993057

Clc1cccc(Cc2ccc(C3OCCO3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
PNMT P11086 2/20 0.41
TAAR1 Q96RJ0 3/20 0.39
SIGMAR1 Q99720 1/20 0.38
CYP3A4 P08684 2/20 0.38
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
DAO P14920 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PGR P06401 1/20 0.37
GRIN2A Q12879 1/20 0.36

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
SCHEMBL6792504 0.83 MAPK1 (0.42) LTA4HTAAR1IDO1
SCHEMBL16388357 0.81 CALM1 (0.48) LTA4H
SCHEMBL8992923 0.78 LTA4H (0.48) LTA4HTAAR1SIGMAR1IDO1AGXT
Ammonia Solution, Strong SCHEMBL28621254 0.77 NPC1 (0.37) LTA4HPNMTTAAR1SIGMAR1CYP3A4
SCHEMBL1680796 0.76 PNMT (0.39) PNMTTAAR1SIGMAR1CYP3A4IDO1
SCHEMBL5431657 0.76 TAAR1 (0.45) TAAR1
SCHEMBL2093970 0.75 PNMT (0.56) LTA4HPNMTTAAR1CYP3A4IDO1
SCHEMBL3300276 0.75 PNMT (0.65) PNMTTAAR1SIGMAR1CYP3A4IDO1
SCHEMBL1680744 0.75 NPC1 (0.42) PNMTTAAR1SIGMAR1CYP3A4IDO1
SCHEMBL3301781 0.73 PNMT (0.58) PNMTTAAR1SIGMAR1CYP3A4IDO1

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