SCHEMBL9447703

SCHEMBL9447703

Cc1c(CC(=O)O)c2cc(OCc3ccc4ccccc4n3)ccc2n1C

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.53
PDE10A Q9Y233 4/20 0.53
ALOX5 P09917 2/20 0.52
CYSLTR1 Q9Y271 7/20 0.52
GPBAR1 Q8TDU6 2/20 0.52
CYSLTR2 Q9NS75 2/20 0.51
ALOX5AP P20292 2/20 0.51
FFAR1 O14842 1/20 0.50
AKR1B1 P15121 1/20 0.50

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
SCHEMBL9140666 0.87 PLA2G2A (0.65) CYP1A2ALOX5ALOX5AP
SCHEMBL9447689 0.86 PLA2G2A (0.56) CYP1A2PDE10AALOX5CYSLTR1GPBAR1
SCHEMBL9680113 0.86 ALOX5AP (0.62) CYP1A2ALOX5ALOX5AP
Water SCHEMBL9141761 0.86 PLA2G2A (0.55) CYP1A2PDE10AALOX5CYSLTR1GPBAR1
SCHEMBL9142609 0.86 PLA2G2A (0.57) CYP1A2PDE10AALOX5CYSLTR1GPBAR1
Water SCHEMBL9141768 0.86 PLA2G2A (0.55) CYP1A2PDE10AALOX5CYSLTR1GPBAR1
SCHEMBL9139743 0.86 PLA2G2A (0.57) CYP1A2PDE10AALOX5CYSLTR1GPBAR1
Water SCHEMBL9140717 0.85 ALOX5AP (0.61) CYP1A2ALOX5ALOX5AP
Water SCHEMBL9140709 0.85 ALOX5AP (0.61) CYP1A2ALOX5ALOX5AP
SCHEMBL2746925 0.84 ALOX5AP (0.68) CYP1A2ALOX5ALOX5AP

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
US-5229516-A Antiinflammatory agents, antiallergens and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-07-20 US claimed
EP-0502106-A1 SUBSTITUTED INDOLE-, INDENE-, PYRANOINDOLE- AND TETRAHYDROCARBAZOLE- ALKANOIC ACID DERIVATIVES AS INHIBITORS OF PLA2 AND LIPOXYGENASE AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-09 EP claimed
WO-1991006537-A2 SUBSTITUTED INDOLE-, INDENE-, PYRANOINDOLE- AND TETRAHYDROCARBAZOLE- ALKANOIC ACID DERIVATIVES AS INHIBITORS OF PLA2 AND LIPOXYGENASE AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-16 WO claimed
US-5229516-A Antiinflammatory agents, antiallergens and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-07-20 US disclosed