SCHEMBL3389397

SCHEMBL3389397

OOC(c1ccccc1)(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.42
HPGD P15428 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
KIF11 P52732 1/20 0.41
ACP3 P15309 2/20 0.41
ALDH1A1 P00352 6/20 0.39
ALOX15 P16050 1/20 0.39
CFTR P13569 1/20 0.38
GOPC Q9HD26 1/20 0.38
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
CDC25B P30305 1/20 0.37
KDM4E B2RXH2 4/20 0.37
TSHR P16473 3/20 0.36
CYP3A4 P08684 2/20 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
SCHEMBL18614729 0.88 CYP1A2 (0.43) HSD17B10HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL431857 0.85 HSD17B10 (0.41) HSD17B10HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL15067859 0.81 HSD17B10 (0.39) HSD17B10HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL8728542 0.81 HSD17B10 (0.42) HSD17B10HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL13427886 0.78 KIF11 (0.43) HSD17B10HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL297104 0.75 ALDH1A1 (0.56) CYP1A2CYP2C19CYP2C9HIF1AKIF11
SCHEMBL2355481 0.75 CYP1A2 (0.59) HSD17B10HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL25710684 0.75 HSD17B10 (0.65) HSD17B10HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL28108200 0.74 ACP3 (0.46) HSD17B10HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL5012463 0.74 ACP3 (0.46) HSD17B10HPGDCYP1A2CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144916-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES The Trustees of the University of Pennsylvania (US) 2010-01-20 EP disclosed
WO-2008124812-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-10-16 WO disclosed