SCHEMBL9645139

SCHEMBL9645139

O=C(O)CCC(CSc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.42
FOLH1 Q04609 4/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR1 O14842 1/20 0.38
MMP2 P08253 3/20 0.38
MMP3 P08254 3/20 0.38
MMP9 P14780 3/20 0.38
MMP13 P45452 2/20 0.38
MMP1 P03956 1/20 0.38
MMP8 P22894 1/20 0.38
KMO O15229 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
DAO P14920 1/20 0.36

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
SCHEMBL9645703 0.85 L3MBTL1 (0.42) HTTNPSR1TDP1
SCHEMBL9645639 0.81 L3MBTL1 (0.46) HTTNPSR1TDP1
SCHEMBL9645833 0.80 EGFR (0.43) CPA3FOLH1
SCHEMBL9558884 0.80 PLA2G2A (0.49) CPA3
SCHEMBL9644879 0.77 MMP2 (0.41) MMP2MMP3MMP9MMP13MMP1
SCHEMBL11068279 0.77 HTT (0.53) HTTNPSR1TDP1FFAR1PTGDR2
SCHEMBL4271572 0.74 ALDH1A1 (0.59) HTTNPSR1TDP1FFAR1PTGDR2
SCHEMBL4272628 0.73 FFAR1 (0.53) HTTNPSR1TDP1FFAR1PTGDR2
SCHEMBL4542541 0.72 ALDH1A1 (0.51) HTTNPSR1TDP1
SCHEMBL30354385 0.70 PRNP (0.46) NPSR1

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-0508004-A1 Phenylsulfonylalkanoic acid compounds Kissei Pharmaceutical Co., Ltd. (JP) 1992-10-14 EP disclosed
US-5145869-A Treatment of irritable bowel syndrome, dyskinesia, pancreatist; hormone inhibitors KISSEI PHARMACEUTICAL CO., LTD. (JP) 1992-09-08 US disclosed