SCHEMBL8103029

SCHEMBL8103029

CCC(=O)N1CC(CC(=O)O)SC(c2ccccc2Cl)c2cc(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 4/20 0.39
ADORA3 P0DMS8 1/20 0.38
MAPT P10636 6/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
SLC8B1 Q6J4K2 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOTUM Q6P988 1/20 0.33
THRB P10828 1/20 0.33

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
Hydrochloric Acid SCHEMBL8110744 0.83 FDFT1 (0.41) FDFT1MAPTTP53TSHRCYP1A2
SCHEMBL8111804 0.78 FDFT1 (0.39) FDFT1ADORA3
SCHEMBL8111693 0.75 FDFT1 (0.41) FDFT1MAPTTP53TSHRCYP1A2
SCHEMBL8112525 0.74 FDFT1 (0.42) FDFT1MAPTTP53TSHRCYP1A2
SCHEMBL8110599 0.72 FDFT1 (0.43) FDFT1MAPTTP53TSHRCYP1A2
SCHEMBL8102443 0.71 FDFT1 (0.44) FDFT1
SCHEMBL8102958 0.71 FDFT1 (0.44) FDFT1MAPTTP53TSHRCYP1A2
SCHEMBL4105250 0.71 FDFT1 (0.44) FDFT1MAPTTP53TSHRCYP1A2
SCHEMBL4110616 0.71 FDFT1 (0.44) FDFT1
SCHEMBL8110758 0.70 MAPT (0.37) FDFT1ADORA3MAPTTP53TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0645378-B1 Condensed seven- or eight-membered heterocyclic compounds useful as squalene synthetase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-08-23 EP claimed
EP-0645378-B1 Condensed seven- or eight-membered heterocyclic compounds useful as squalene synthetase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-08-23 EP disclosed
US-5698691-A ANTICHOLESTEROL AGENT; SYNTHETASE INHIBITOR; FUNGICIDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-16 US disclosed
EP-0645378-A1 Condensed seven- or eight-membered heterocyclic compounds useful as squalene synthetase inhibitors Takeda Chemical Industries, Ltd. (JP) 1995-03-29 EP disclosed