SCHEMBL9502601

SCHEMBL9502601

CCCCCCCCCCCSc1ncccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
CHRM1 P11229 5/20 0.39
CHRM2 P08172 2/20 0.39
CHRM3 P20309 2/20 0.39
PAK1 Q13153 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD11B1 P28845 1/20 0.38
SOAT1 P35610 1/20 0.37

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
SCHEMBL6287767 0.81 TRIM24 (0.47) TRIM24TRIM33ALDH1A1MAPTNPSR1
SCHEMBL4822817 0.76 GPR84 (0.45) GPR84CHRM1CHRM2CHRM3PAK1
SCHEMBL2749556 0.75 SMN1; SMN2 (0.63) HAO1ALDH1A1
SCHEMBL9428564 0.75 PTGS2 (0.52) GPR84SOAT1
SCHEMBL9560125 0.75 PTGS2 (0.52) GPR84SOAT1
SCHEMBL7721146 0.75 PTGS2 (0.52) GPR84SOAT1
SCHEMBL11434977 0.75 PTGS2 (0.52) GPR84SOAT1
SCHEMBL1743341 0.75 SMN1; SMN2 (0.42) GPR84CHRM1PAK1ALDH1A1MAPT
SCHEMBL11443812 0.75 PTGS2 (0.52) GPR84SOAT1
SCHEMBL9428037 0.75 PTGS2 (0.52) GPR84SOAT1

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
EP-0548291-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-30 EP disclosed
WO-1992005156-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-04-02 WO disclosed