SCHEMBL8460792

SCHEMBL8460792

Oc1ccc2c(c1)CCc1ccccc1-2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.56
SRD5A2 P31213 1/20 0.56
MIF P14174 5/20 0.50
MAOB P27338 2/20 0.50
RAB9A P51151 2/20 0.50
MAOA P21397 1/20 0.50
PRKCI P41743 1/20 0.50
NTRK1 P04629 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CCNA1 P78396 1/20 0.50
NPC1 O15118 1/20 0.50
HSP90AA1 P07900 2/20 0.49
PBRM1 Q86U86 1/20 0.48
CYP26A1 O43174 3/20 0.48
MITF O75030 1/20 0.47
CES1 P23141 1/20 0.46
MAPK14 Q16539 1/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46

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
SCHEMBL784291 0.89 MAOB (0.59) MIFMAOBMAOAPRKCINTRK1
SCHEMBL4040922 0.88 SRD5A1 (0.46) SRD5A1SRD5A2MIFMAOBRAB9A
SCHEMBL29669379 0.88 CES1 (0.61) MIFMAOBRAB9AMAOAPRKCI
SCHEMBL4040669 0.88 CES1 (0.61) MIFMAOBRAB9AMAOAPRKCI
SCHEMBL4047500 0.84 MIF (0.46) SRD5A1SRD5A2MIFMAOBRAB9A
SCHEMBL4047498 0.84 MIF (0.46) SRD5A1SRD5A2MIFMAOBRAB9A
SCHEMBL9576823 0.83 PBRM1 (0.56) SRD5A1SRD5A2MIFMAOBRAB9A
SCHEMBL217399 0.83 KDM4E (0.59) SRD5A2MAOBRAB9AMAOANPC1
SCHEMBL29373696 0.83 KDM4E (0.59) SRD5A2MAOBRAB9AMAOANPC1
SCHEMBL4170410 0.81 MIF (0.56) MIFMAOBMAOACYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2959785-B2 1999-10-06 JP claimed
US-5480913-A DIHYDRO-PHENANTHRENE DERIVATIVES, SIDE EFFECT REDUCTION ARCH DEVELOPMENT CORPORATION (US) 1996-01-02 US claimed
EP-0363128-B1 ANTI-ANDROGEN COMPOUNDS ARCH DEVELOPMENT CORPORATION (US) 1993-09-01 EP claimed
WO-1990003979-A2 ANTI-ANDROGEN COMPOUNDS ARCH DEVELOPMENT CORPORATION (US) 1990-04-19 WO claimed
EP-0363128-A2 Anti-androgen compounds ARCH DEVELOPMENT CORPORATION (US) 1990-04-11 EP claimed
US-5480913-A DIHYDRO-PHENANTHRENE DERIVATIVES, SIDE EFFECT REDUCTION ARCH DEVELOPMENT CORPORATION (US) 1996-01-02 US disclosed
EP-0363128-B1 ANTI-ANDROGEN COMPOUNDS ARCH DEVELOPMENT CORPORATION (US) 1993-09-01 EP disclosed
US-5213709-A Contains thiadiazole ring CANON KABUSHIKI KAISHA (JP) 1993-05-25 US disclosed
US-5208263-A Dihydrophenanthrene derivatives ARCH DEVELOPMENT CORPORATION (US) 1993-05-04 US disclosed
EP-0455219-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1991-11-06 EP disclosed
WO-1990003979-A2 ANTI-ANDROGEN COMPOUNDS ARCH DEVELOPMENT CORPORATION (US) 1990-04-19 WO disclosed
EP-0363128-A2 Anti-androgen compounds ARCH DEVELOPMENT CORPORATION (US) 1990-04-11 EP disclosed