SCHEMBL9479140

SCHEMBL9479140

CCCCOC(=O)Nc1ccc2cnn(Cc3ccc(C(=O)O)cc3OC)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.54
CYSLTR1 Q9Y271 1/20 0.54
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
AGTR1 P30556 1/20 0.46
AGTR2 P50052 1/20 0.46
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
CASP1 P29466 1/20 0.44
PLA2G4A P47712 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
EGFR P00533 2/20 0.41
KDR P35968 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 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
SCHEMBL10369697 0.93 CYSLTR2 (0.52) CYSLTR2CYSLTR1EPHX2NR1H4RAB9A
SCHEMBL9806734 0.87 CYSLTR1 (0.74) CYSLTR2CYSLTR1EPHX2GAAKMT2A
SCHEMBL9480363 0.82 CYSLTR2 (0.43) CYSLTR2CYSLTR1RAB9ANPC1CASP1
SCHEMBL8998138 0.82 CYSLTR2 (0.77) CYSLTR2CYSLTR1EPHX2NR1H4PLA2G4A
SCHEMBL9806763 0.81 CYSLTR2 (0.76) CYSLTR2CYSLTR1EPHX2NR1H4PLA2G4A
SCHEMBL8951226 0.81 EPHX2 (0.47) EPHX2NR1H4AGTR1AGTR2RAB9A
SCHEMBL9477836 0.80 CYSLTR2 (0.53) CYSLTR2CYSLTR1EPHX2NR1H4AGTR1
SCHEMBL9479016 0.79 CYSLTR2 (0.61) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL10369905 0.77 PLA2G4A (0.47) CYSLTR2CYSLTR1EPHX2NR1H4AGTR1
SCHEMBL9806759 0.77 CYSLTR2 (0.47) CYSLTR2CYSLTR1EPHX2NR1H4AGTR1

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-5234942-A Treating allergic pulmonary disorders, asthma ICI AMERICAS INC. (US) 1993-08-10 US disclosed
US-4997844-A Compounds for the treatment of allergic or inflammatory diseases or shock conditions ICI AMERICAS INC. (US) 1991-03-05 US disclosed