SCHEMBL4602229

SCHEMBL4602229

Cc1c(O)c(C)c(Br)c(CCCc2c(Br)c(C)c(O)c(C)c2Br)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
PTPN1 P18031 1/20 0.35
DRD4 P21917 2/20 0.33
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL9503900 0.92 ALDH1A1 (0.39) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL7118812 0.85 HPGD (0.35) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL9503945 0.81 CA1 (0.55) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL6825433 0.79 DRD4 (0.56) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL10612238 0.79 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL6825519 0.79 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL10584172 0.78 CA1 (0.50) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL9813428 0.77 ALDH1A1 (0.37) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL10363074 0.77 ALDH1A1 (0.37) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL10495951 0.77 ALDH1A1 (0.37) ALDH1A1HPGDALOX15HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751211-B1 METHOD FOR PREPARING A POLYCARBONATE OLIGOMER MIXTURE AT LOW TEMPERATURE FOR MANUFACTURING POLYCARBONATE GEN ELECTRIC (US) 2008-04-30 EP disclosed
EP-1137683-A1 POLYOXAZOLIDONE ADHESIVE RESIN COMPOSITION PREPARED FROM POLYEPOXIDES AND POLYISOCYANATES THE DOW CHEMICAL COMPANY (US) 2001-10-04 EP disclosed
WO-2000034351-A1 POLYOXAZOLIDONE ADHESIVE RESIN COMPOSITION PREPARED FROM POLYEPOXIDES AND POLYISOCYANATES THE DOW CHEMICAL COMPANY (US) 2000-06-15 WO disclosed