SCHEMBL9645703

SCHEMBL9645703

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
SLC1A1 P43005 1/20 0.42
POLB P06746 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL9645639 0.93 L3MBTL1 (0.46) L3MBTL1SLC1A1POLBMAPTMEN1
SCHEMBL9644879 0.87 MMP2 (0.41) L3MBTL1MAPTMEN1KMT2ATSHR
SCHEMBL9645139 0.85 CPA3 (0.42) HTTNPSR1TDP1
SCHEMBL9645693 0.84 SLC1A1 (0.43) SLC1A1POLBMAPTKMT2ATDP1
SCHEMBL9558477 0.82 PLA2G2A (0.45) SLC1A1MAPTTSHRNPSR1LMNA
SCHEMBL9646488 0.82 HPGD (0.40) MEN1KMT2ARAB9ALMNAATM
SCHEMBL9644811 0.81 CCKAR (0.48) L3MBTL1TSHRLMNACYP3A4CYP2C9
SCHEMBL9645604 0.77 CCKBR (0.44) TSHRLMNACYP3A4CYP2C9
SCHEMBL7075493 0.73 ALDH1A1 (0.43) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL2722625 0.73 TSHR (0.44) TSHRHTTNPSR1TDP1LMNA

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