SCHEMBL9645693

SCHEMBL9645693

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.43
EGFR P00533 1/20 0.42
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
GFER P55789 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
POLB P06746 1/20 0.37
PPARD Q03181 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL9645833 0.87 EGFR (0.43) EGFRPPARGPPARAALDH1A1LMNA
SCHEMBL9558477 0.84 PLA2G2A (0.45) SLC1A1PPARGPPARAALDH1A1LMNA
SCHEMBL9645703 0.84 L3MBTL1 (0.42) SLC1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL9645652 0.81 CCKBR (0.40) EGFRPPARGPPARAALDH1A1LMNA
SCHEMBL9645639 0.77 L3MBTL1 (0.46) SLC1A1CYP1A2CYP3A4CYP2C19POLB
SCHEMBL7075493 0.74 ALDH1A1 (0.43) PPARGPPARAALDH1A1LMNASMN1; SMN2
SCHEMBL6823148 0.74 MAPT (0.57) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27218104 0.70 PRNP (0.49) ALDH1A1LMNAGFERPOLBSMN1; SMN2
SCHEMBL27218106 0.70 PRNP (0.49) ALDH1A1LMNAGFERPOLBSMN1; SMN2
SCHEMBL9644879 0.70 MMP2 (0.41) MAPTKMT2A

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