SCHEMBL9645833

SCHEMBL9645833

Cc1ccc(SCC(CCC(=O)O)C(=O)O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
CPA3 P15088 1/20 0.42
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
GFER P55789 1/20 0.39
FOLH1 Q04609 7/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
PPARD Q03181 1/20 0.36
KIF11 P52732 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
SCHEMBL9645693 0.87 SLC1A1 (0.43) EGFRPPARGPPARAALDH1A1LMNA
SCHEMBL9558884 0.80 PLA2G2A (0.49) CPA3
SCHEMBL9645139 0.80 CPA3 (0.42) CPA3FOLH1
SCHEMBL26717442 0.74 ALDH1A1 (0.39) EGFRPPARGPPARAALDH1A1LMNA
SCHEMBL7235863 0.73 CTSB (0.57) ALDH1A1SMN1; SMN2PPARD
SCHEMBL27218104 0.71 PRNP (0.49) ALDH1A1LMNAGFERSMN1; SMN2
SCHEMBL27218106 0.71 PRNP (0.49) ALDH1A1LMNAGFERSMN1; SMN2
SCHEMBL9558477 0.69 PLA2G2A (0.45) PPARGPPARAALDH1A1LMNA
SCHEMBL9645703 0.69 L3MBTL1 (0.42) LMNA
SCHEMBL9749609 0.68 KDM4E (0.38) CPA3FOLH1

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