SCHEMBL555033

SCHEMBL555033

c1ccc(-c2ccccc2-c2ccc3cccc4c5cccc6cccc(c2c34)c65)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
HSD17B10 Q99714 6/20 0.52
HPGD P15428 5/20 0.52
CYP1A2 P05177 2/20 0.52
THRB P10828 1/20 0.52
MAPK1 P28482 5/20 0.48
TSHR P16473 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
ATM Q13315 3/20 0.48
CASP1 P29466 3/20 0.47
HIF1A Q16665 2/20 0.47
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
AHR P35869 1/20 0.43
CDK4 P11802 3/20 0.42
CCND1 P24385 3/20 0.42
CASP7 P55210 2/20 0.40
DNMT1 P26358 2/20 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
SCHEMBL28548367 0.93 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL5139143 0.91 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL21811795 0.88 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL38654978 0.85 ALDH1A1 (0.67) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL29656951 0.84 ALDH1A1 (0.64) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL16321276 0.84 ALDH1A1 (0.64) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL27803175 0.84 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL29538391 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL3836374 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL29669708 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDCYP1A2THRB

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
US-20120032155-A1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, DISPLAY DEVICE, AND ELECTRONIC APPARATUS SEIKO EPSON CORPORATION (JP) 2012-02-09 US disclosed
CN-1386123-A Aryl-substituted poly-p-arylenevinylenes KONINKL PHILIPS ELECTRONICS NV (NL) 2002-12-18 CN disclosed