SCHEMBL4852035

SCHEMBL4852035

C1=Cc2cc3cc4ccccc4cc3c3c2c1cc1ccccc13

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
HSD17B10 Q99714 6/20 0.41
HIF1A Q16665 2/20 0.41
CYP1B1 Q16678 1/20 0.41
CYP1A2 P05177 5/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
AHR P35869 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
HTR2A P28223 1/20 0.36
HPGD P15428 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GLA P06280 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 2/20 0.35
TSHR P16473 2/20 0.34

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
SCHEMBL4416388 0.89 HSD17B10 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4847753 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4853509 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4853451 0.78 CYP1A2 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4852698 0.78 CYP1A2 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4853742 0.78 CYP1A2 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4855642 0.77 CYP1A2 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4846793 0.77 CYP1A2 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4852007 0.75 HSD17B10 (0.60) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL9228626 0.75 CYP2A6 (0.47) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2

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