SCHEMBL9140671

SCHEMBL9140671

O=C(O)Cc1cn(CCc2ccccc2)c2ccc(OCc3ccc4ccccc4n3)cc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.57
LTB4R2 Q9NPC1 1/20 0.57
FFAR1 O14842 1/20 0.55
AKR1B1 P15121 1/20 0.55
MCL1 Q07820 1/20 0.53
CYSLTR1 Q9Y271 7/20 0.52
CYSLTR2 Q9NS75 3/20 0.52
ALOX5 P09917 1/20 0.52
PPARG P37231 2/20 0.50
PPARD Q03181 2/20 0.50
PPARA Q07869 2/20 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
SCHEMBL9141677 0.86 PPARD (0.66) FFAR1AKR1B1CYSLTR1ALOX5PPARG
SCHEMBL8543204 0.81 FFAR1 (0.57) FFAR1AKR1B1MCL1CYSLTR1CYSLTR2
SCHEMBL27384853 0.77 PLA2G2A (0.63) LTB4RLTB4R2MCL1PPARGPPARD
SCHEMBL9447703 0.76 CYP1A2 (0.53) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL9828391 0.76 FFAR1 (0.73) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL9053241 0.75 CYSLTR1 (0.73) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL7807149 0.75 FFAR1 (0.68) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL6092017 0.75 CYSLTR1 (0.56) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL9140666 0.75 PLA2G2A (0.65) ALOX5
SCHEMBL8625730 0.75 FFAR1 (0.58) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5

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 5 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-5420289-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS AND CYTOPROTECTIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-30 US disclosed
US-5229516-A Antiinflammatory agents, antiallergens and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-07-20 US disclosed