SCHEMBL27435883

SCHEMBL27435883

Cc1c(Cl)c(C(=O)O)c(Br)c(C)c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR35 Q9HC97 5/20 0.33
NOTUM Q6P988 1/20 0.33
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL27501454 0.91 HCAR2 (0.35) HCAR2ALDH1A1MAPK1SMN1; SMN2GPR35
SCHEMBL13154639 0.81 NOTUM (0.38) HCAR2ALDH1A1MAPK1SMN1; SMN2GPR35
SCHEMBL11223557 0.81 NOTUM (0.41) HCAR2ALDH1A1MAPK1SMN1; SMN2GPR35
SCHEMBL11654790 0.81 ALDH1A1 (0.41) HCAR2ALDH1A1MAPK1SMN1; SMN2GPR35
SCHEMBL26841743 0.77 ALDH1A1 (0.39) HCAR2ALDH1A1MAPK1SMN1; SMN2GPR35
SCHEMBL14507766 0.77 ALDH1A1 (0.39) HCAR2ALDH1A1MAPK1SMN1; SMN2GPR35
SCHEMBL7821278 0.76 GPR35 (0.39) ALDH1A1MAPK1SMN1; SMN2GPR35NOTUM
SCHEMBL11678094 0.76 CYP1A2 (0.39) ALDH1A1MAPK1SMN1; SMN2GPR35KDM4E
SCHEMBL1953847 0.76 ALDH1A1 (0.41) HCAR2ALDH1A1MAPK1SMN1; SMN2GPR35
SCHEMBL6825425 0.75 DPP4 (0.36) HCAR2ALDH1A1MAPK1SMN1; SMN2GPR35

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
CN-1129003-A Reduced fluorescence compositions containing naphthalenedicarboxylic acid polymers and halogens EASTMAN CHEM CO (US) 1996-08-14 CN disclosed