SCHEMBL4280028

SCHEMBL4280028

COc1ccccc1Sc1c(C)n(CC(=O)O)c2ccc(NS(C)(=O)=O)cc12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.53
AKR1B1 P15121 10/20 0.53
CYP2C9 P11712 3/20 0.48
PLA2G4A P47712 1/20 0.42
NPC1 O15118 1/20 0.39
LOXL2 Q9Y4K0 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
SCHEMBL1249479 0.87 PTGDR2 (0.71) PTGDR2AKR1B1CYP2C9
SCHEMBL1251777 0.87 PTGDR2 (0.55) PTGDR2AKR1B1CYP2C9NPC1LOXL2
SCHEMBL3575633 0.85 PTGDR2 (0.53) PTGDR2AKR1B1CYP2C9NPC1LOXL2
SCHEMBL2550525 0.84 PTGDR2 (0.52) PTGDR2AKR1B1CYP2C9NPC1LOXL2
SCHEMBL1251115 0.84 PTGDR2 (0.52) PTGDR2AKR1B1CYP2C9NPC1LOXL2
SCHEMBL1406010 0.84 PTGDR2 (0.73) PTGDR2AKR1B1CYP2C9
SCHEMBL1251069 0.83 PTGDR2 (0.71) PTGDR2AKR1B1CYP2C9
SCHEMBL1251108 0.83 PTGDR2 (0.57) PTGDR2AKR1B1CYP2C9
SCHEMBL1251057 0.80 PTGDR2 (0.48) PTGDR2AKR1B1CYP2C9
SCHEMBL1251755 0.79 PTGDR2 (0.75) PTGDR2AKR1B1CYP2C9

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
EP-2025670-A1 3-(Phenyl or quinolyl)thio-1H-indole-1-acetic acid derivatives as modulators of CRTh2 receptor activity AstraZeneca AB (SE) 2009-02-18 EP disclosed