SCHEMBL4855174

SCHEMBL4855174

c1ccc2c3c(ccc2c1)-c1c(c2ccccc2c2ccccc12)C3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CYP1A2 P05177 4/20 0.43
HPGD P15428 4/20 0.43
CYP2C19 P33261 3/20 0.43
HIF1A Q16665 2/20 0.43
CYP2C9 P11712 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
HPRT1 P00492 2/20 0.43
HSD17B10 Q99714 4/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DNMT1 P26358 1/20 0.39

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
SCHEMBL28857916 0.84 HPRT1 (0.58) ALDH1A1CYP1A2HPGDCYP2C19HIF1A
SCHEMBL868515 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2HPGDCYP2C19HIF1A
SCHEMBL30585509 0.77 DNMT1 (0.43) ALDH1A1CYP1A2HPGDCYP2C19HIF1A
SCHEMBL867437 0.77 DNMT1 (0.43) ALDH1A1CYP1A2HPGDCYP2C19HIF1A
SCHEMBL1262143 0.76 CA1 (0.35) ALDH1A1CYP1A2HPGDMEN1KMT2A
SCHEMBL18416232 0.75 GPR3 (0.44) ALDH1A1CYP1A2HPGDCYP2C19HIF1A
SCHEMBL18416201 0.74 L3MBTL1 (0.41) ALDH1A1CYP1A2HPGDCYP2C19HIF1A
SCHEMBL12952437 0.73 CYP1A2 (0.33) ALDH1A1CYP1A2HPGDCYP2C19HIF1A
SCHEMBL4852568 0.73 ANPEP (0.40) ALDH1A1CYP1A2HPGDCYP2C19HIF1A
SCHEMBL18416252 0.72 HPGD (0.33) ALDH1A1CYP1A2HPGDCYP2C19HIF1A

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 1 patent. 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