SCHEMBL9712932

SCHEMBL9712932

Nc1ccccc1SCc1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
FFAR1 O14842 2/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
S1PR1 P21453 3/20 0.46
KDM4E B2RXH2 1/20 0.46
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45
PLA2G4B P0C869 1/20 0.44
MAOB P27338 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3896275 0.78 POLB (1.00) POLBNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL9857397 0.77 FFAR1 (0.55) FFAR1S1PR1KDM4ES1PR3S1PR5
SCHEMBL3083461 0.77 RAB9A (0.79) FFAR1NPC1RAB9AS1PR1S1PR3
SCHEMBL16242598 0.76 POLB (0.87) POLBNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL1586637 0.76 HTR2A (0.66) FFAR1NPC1RAB9AS1PR1S1PR3
SCHEMBL11348028 0.76 RAB9A (0.77) FFAR1NPC1RAB9AS1PR1S1PR3
SCHEMBL13959555 0.76 FFAR1 (0.64) FFAR1S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL9819860 0.76 FFAR1 (0.64) FFAR1NPC1RAB9AS1PR1S1PR3
SCHEMBL4981505 0.75 KCNA3 (0.73) FFAR1NPC1RAB9AS1PR1S1PR3
SCHEMBL7298052 0.74 POLB (0.65) POLBNPC1RAB9AMAOBLMNA

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
US-5140046-A Slow reacting substance of anaphylaxis antagonists YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-18 US disclosed
US-5116853-A SRS-Antagonist, Antiallergens MASE TOSHIYASU (JP) 1992-05-26 US disclosed
US-4994479-A Antagonists of SRS-A(slow reacting substance of anaphylaxis); antiallergens, antiischemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed