SCHEMBL9857397

SCHEMBL9857397

O=C(O)CNc1ccccc1SCc1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.55
S1PR1 P21453 7/20 0.52
S1PR3 Q99500 4/20 0.51
S1PR5 Q9H228 1/20 0.51
KDM4E B2RXH2 1/20 0.48
LTA4H P09960 2/20 0.48
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PLA2G4B P0C869 1/20 0.45
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
NR1H4 Q96RI1 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
SCHEMBL9857030 0.88 LTA4H (0.53) FFAR1S1PR1S1PR3S1PR5KDM4E
SCHEMBL9712932 0.77 POLB (0.61) FFAR1S1PR1S1PR3S1PR5KDM4E
SCHEMBL10721871 0.74 FFAR1 (0.51) FFAR1S1PR1S1PR3S1PR5KDM4E
SCHEMBL947760 0.73 S1PR1 (0.83) FFAR1S1PR1S1PR3S1PR5LTA4H
SCHEMBL1747055 0.73 FFAR1 (0.74) FFAR1S1PR1S1PR3S1PR5LTA4H
SCHEMBL1746597 0.72 FFAR1 (1.00) FFAR1S1PR1S1PR3S1PR5LMNA
SCHEMBL950975 0.72 FFAR1 (0.71) FFAR1S1PR1S1PR3S1PR5LTA4H
SCHEMBL4656572 0.71 FFAR1 (0.97) FFAR1S1PR1S1PR3S1PR5LMNA
SCHEMBL835506 0.71 MEN1 (0.65) FFAR1S1PR1S1PR3S1PR5LTA4H
SCHEMBL1744514 0.71 FFAR1 (0.65) FFAR1S1PR1S1PR3S1PR5PLA2G4B

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-4994479-A Antagonists of SRS-A(slow reacting substance of anaphylaxis); antiallergens, antiischemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
EP-0218728-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-04-22 EP disclosed
WO-1986005779-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO disclosed