SCHEMBL8459078

SCHEMBL8459078

OCCc1cccc2c1CCc1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.45
DRD2 P14416 3/20 0.42
CES1 P23141 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
AKR1B1 P15121 1/20 0.38
SRD5A1 P18405 1/20 0.37
SRD5A2 P31213 1/20 0.37
DYRK1A Q13627 1/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
DRD4 P21917 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
DRD3 P35462 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL11000829 0.86 PNMT (0.47) PNMTDRD2CES1ALDH1A1AKR1B1
SCHEMBL1567178 0.84 PNMT (0.64) PNMTDRD2CES1ALDH1A1GAA
SCHEMBL32685224 0.83 BCL2L1 (0.36) PNMTDRD2ALDH1A1GAA
SCHEMBL8941768 0.83 PNMT (0.45) PNMTDRD2CES1ALDH1A1GAA
SCHEMBL28747187 0.79 LIPG (0.42) PNMTDRD2ALDH1A1GAANR1H2
SCHEMBL10494187 0.79 PNMT (0.47) PNMTDRD2CES1AKR1B1SRD5A1
SCHEMBL10494224 0.79 PNMT (0.71) PNMTDRD2CES1AKR1B1SRD5A1
SCHEMBL10494169 0.79 PNMT (0.47) PNMTDRD2CES1AKR1B1SRD5A1
SCHEMBL10954701 0.76 PNMT (0.45) PNMTALDH1A1DRD4
SCHEMBL11000510 0.76 PNMT (0.45) PNMTCES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2959785-B2 1999-10-06 JP claimed
WO-1990003979-A2 ANTI-ANDROGEN COMPOUNDS ARCH DEVELOPMENT CORPORATION (US) 1990-04-19 WO 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-5208263-A Dihydrophenanthrene derivatives ARCH DEVELOPMENT CORPORATION (US) 1993-05-04 US 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