SCHEMBL7801398

SCHEMBL7801398

O=C(O)CCSC1c2ccccc2COc2ccc(OCc3ccc4ccccc4n3)cc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.50
CYSLTR2 Q9NS75 8/20 0.50
FFAR1 O14842 1/20 0.49
AKR1B1 P15121 1/20 0.49
TBXA2R P21731 4/20 0.49
LTB4R Q15722 2/20 0.47
GPBAR1 Q8TDU6 2/20 0.46

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
SCHEMBL7808205 0.92 TBXA2R (0.47) CYSLTR1CYSLTR2FFAR1AKR1B1TBXA2R
SCHEMBL7802326 0.92 TBXA2R (0.44) TBXA2R
SCHEMBL7808348 0.92 CYSLTR2 (0.49) CYSLTR1CYSLTR2TBXA2R
SCHEMBL7806618 0.91 TBXA2R (0.49) CYSLTR1CYSLTR2TBXA2R
SCHEMBL7809811 0.91 TBXA2R (0.44) CYSLTR1CYSLTR2TBXA2R
SCHEMBL7810554 0.91 TBXA2R (0.44) CYSLTR1CYSLTR2TBXA2R
SCHEMBL7806853 0.90 TBXA2R (0.43) CYSLTR1CYSLTR2TBXA2R
SCHEMBL7810171 0.90 TBXA2R (0.43) CYSLTR1CYSLTR2FFAR1AKR1B1TBXA2R
SCHEMBL7810463 0.88 TBXA2R (0.45) CYSLTR1CYSLTR2TBXA2R
SCHEMBL7809586 0.88 LTB4R (0.47) CYSLTR1CYSLTR2TBXA2RLTB4RGPBAR1

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 3 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