SCHEMBL7810171

SCHEMBL7810171

CCc1ccc2nc(COc3ccc4c(c3)C(SCCC(=O)O)c3ccccc3CO4)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 8/20 0.43
FFAR1 O14842 1/20 0.42
AKR1B1 P15121 1/20 0.42
TBXAS1 P24557 3/20 0.42
CYSLTR2 Q9NS75 3/20 0.41
CYSLTR1 Q9Y271 3/20 0.41

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
SCHEMBL7806618 0.91 TBXA2R (0.49) TBXA2RTBXAS1CYSLTR2CYSLTR1
SCHEMBL7801398 0.90 CYSLTR1 (0.50) TBXA2RFFAR1AKR1B1CYSLTR2CYSLTR1
SCHEMBL7810554 0.89 TBXA2R (0.44) TBXA2RTBXAS1CYSLTR2CYSLTR1
SCHEMBL7809811 0.89 TBXA2R (0.44) TBXA2RTBXAS1CYSLTR2CYSLTR1
SCHEMBL7802326 0.85 TBXA2R (0.44) TBXA2RTBXAS1
SCHEMBL7808348 0.85 CYSLTR2 (0.49) TBXA2RTBXAS1CYSLTR2CYSLTR1
SCHEMBL7806823 0.84 TBXA2R (0.40) TBXA2RTBXAS1
SCHEMBL7801813 0.84 LTB4R (0.47) CYSLTR2CYSLTR1
SCHEMBL7809578 0.84 LTB4R (0.41) FFAR1AKR1B1CYSLTR2CYSLTR1
SCHEMBL5331476 0.84 TBXA2R (0.42) TBXA2RTBXAS1

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
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP disclosed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed