SCHEMBL4852568

SCHEMBL4852568

c1ccc2c3c(ccc2c1)-c1c(ccc2ccc4ccccc4c12)C3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.40
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 3/20 0.37
CYP2A6 P11509 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 4/20 0.36
CYP1A2 P05177 3/20 0.36
THRB P10828 1/20 0.36
DNMT1 P26358 1/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
NCOA1 Q15788 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CYP3A4 P08684 2/20 0.35
HPRT1 P00492 1/20 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
SCHEMBL867437 0.87 DNMT1 (0.43) ANPEPALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL30585509 0.87 DNMT1 (0.43) ANPEPALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL4852791 0.81 TSHR (0.45) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL4854059 0.79 TSHR (0.39) ANPEPALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL22076938 0.76 DNMT1 (0.41) ANPEPALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL4852395 0.76 ALDH1A1 (0.49) ANPEPALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL17988850 0.75 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRTDP1HPGD
SCHEMBL1155357 0.75 ANPEP (0.41) ANPEPALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL30585507 0.75 ANPEP (0.41) ANPEPALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL2535555 0.75 ANPEP (0.55) ANPEPALDH1A1HSD17B10TSHRCYP2A6

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