SCHEMBL9449409

SCHEMBL9449409

CCOC(=O)c1[nH]c2cc(Cl)ccc2c1CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 13/20 0.66
PTGS2 P35354 2/20 0.59

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
SCHEMBL9189433 0.90 ALDH1A1 (0.65) ALOX15
SCHEMBL9449437 0.90 ALOX15 (0.66) ALOX15
SCHEMBL9449317 0.89 ALOX15 (0.65) ALOX15
SCHEMBL4573082 0.86 ALOX15 (0.67) ALOX15
SCHEMBL15622440 0.84 ALOX15 (0.65) ALOX15
SCHEMBL15622620 0.83 ALOX15 (0.64) ALOX15
SCHEMBL3029308 0.83 ALOX15 (0.74) ALOX15
SCHEMBL4042096 0.83 ALOX15 (0.74) ALOX15
SCHEMBL7204095 0.83 PTGS2 (0.60) PTGS2
SCHEMBL9187231 0.83 GPR17 (0.74) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5229413-A Nervous system disorders G. D. SEARLE & CO. (US) 1993-07-20 US disclosed
US-5137910-A Compositions containing indole-2-carboxylate compounds for treatment of CNS disorders C.D. SEARLE & CO. (US) 1992-08-11 US disclosed