SCHEMBL4847072

SCHEMBL4847072

C1=C2C(=Cc3cc4ccccc4cc32)c2cc3ccccc3cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
HSD17B10 Q99714 8/20 0.42
HIF1A Q16665 5/20 0.42
HPGD P15428 5/20 0.42
CASP1 P29466 5/20 0.42
CASP7 P55210 4/20 0.42
TP53 P04637 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP2A6 P11509 5/20 0.35
ALOX12 P18054 2/20 0.35
NQO2 P16083 1/20 0.35
HBB P68871 2/20 0.34
CYP3A4 P08684 4/20 0.33
CYP1A2 P05177 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
GSTP1 P09211 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL28763536 0.73 ALDH1A1 (0.67) ALDH1A1HSD17B10HIF1AHPGDCASP1
SCHEMBL1979202 0.73 ALDH1A1 (0.67) ALDH1A1HSD17B10HIF1AHPGDCASP1
SCHEMBL5917389 0.73 ALDH1A1 (0.67) ALDH1A1HSD17B10HIF1AHPGDCASP1
SCHEMBL1811522 0.73 ALDH1A1 (0.67) ALDH1A1HSD17B10HIF1AHPGDCASP1
SCHEMBL1154675 0.73 ALDH1A1 (0.67) ALDH1A1HSD17B10HIF1AHPGDCASP1
SCHEMBL9042905 0.73 ALDH1A1 (0.67) ALDH1A1HSD17B10HIF1AHPGDCASP1
SCHEMBL212667 0.72 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1AHPGDCASP1
SCHEMBL9039265 0.67 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1AHPGDCASP1
SCHEMBL9228626 0.67 CYP2A6 (0.47) ALDH1A1HSD17B10HIF1AHPGDCASP1
Anthracene SCHEMBL7703 0.65 CYP2A6 (0.64) ALDH1A1HSD17B10HIF1AHPGDCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 US disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed