SCHEMBL5697528

SCHEMBL5697528

[Li]c1c(C(=O)O)ccc(C(=O)O)c1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
CYP2D6 P10635 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CA12 O43570 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
HMGB1 P09429 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
MAPT P10636 3/20 0.34
SELL P14151 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
SCHEMBL3282929 0.79 ALOX15 (0.41) ALOX15CYP2D6CYP1A2ALDH1A1KDM4E
SCHEMBL9845621 0.77 CYP2D6 (0.46) ALOX15CYP2D6CYP1A2ALDH1A1KDM4E
SCHEMBL30931203 0.77 CYP1A2 (0.58) ALOX15CYP1A2ALDH1A1KDM4EHPGD
Benzene SCHEMBL10638262 0.76 ALOX15 (0.59) ALOX15CYP2D6ALDH1A1KDM4EHPGD
SCHEMBL65889 0.76 ALOX15 (0.59) ALOX15CYP2D6ALDH1A1KDM4EHPGD
SCHEMBL5655745 0.75 CYP2D6 (0.41) ALOX15CYP2D6CYP1A2ALDH1A1KDM4E
SCHEMBL3781304 0.74 ALOX15 (0.57) ALOX15CYP2D6ALDH1A1KDM4EHPGD
SCHEMBL20471934 0.74 ALOX15 (0.57) ALOX15CYP2D6ALDH1A1KDM4EHPGD
SCHEMBL812165 0.74 ALOX15 (0.57) ALOX15CYP2D6ALDH1A1KDM4EHPGD
Phosphine SCHEMBL3135561 0.74 ALOX15 (0.57) ALOX15CYP2D6ALDH1A1KDM4EHPGD

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
EP-1220874-B1 SULFOPOLYMERS AS EMULSION STABILIZERS WITH IMPROVED COAGULUM LEVEL EASTMAN CHEM CO (US) 2006-07-05 EP disclosed
EP-1220874-A1 SULFOPOLYMERS AS EMULSION STABILIZERS WITH IMPROVED COAGULUM LEVEL EASTMAN CHEMICAL COMPANY (US) 2002-07-10 EP disclosed
US-6255366-B1 ADDITION POLYMERIZATION OF UNSATURATED MONOMER IN AN AQUEOUS LATEX EMULSION STABILIZED WITH A SULFONATED BRANCHED POLYESTER, POLYAMIDE, OR POLYAMIDEESTER COPOLYMER EASTMAN CHEMICAL COMPANY 2001-07-03 US disclosed
WO-2001025304-A1 SULFOPOLYMERS AS EMULSION STABILIZERS WITH IMPROVED COAGULUM LEVEL EASTMAN CHEMICAL COMPANY (US) 2001-04-12 WO disclosed