SCHEMBL8102958

SCHEMBL8102958

CC(C)CN1C(=O)C(CC(=O)O)SC(c2ccccc2Cl)c2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 9/20 0.44
ALDH1A1 P00352 2/20 0.42
MDM2 Q00987 2/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
CCKBR P32239 2/20 0.36
CDC25A P30304 1/20 0.36
MAPT P10636 3/20 0.35
ALOX15 P16050 2/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
SLC8B1 Q6J4K2 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
SCHEMBL4105250 1.00 FDFT1 (0.44) FDFT1ALDH1A1MDM2TP53POLB
SCHEMBL8111693 0.89 FDFT1 (0.41) FDFT1ALDH1A1TP53POLBCDC25A
SCHEMBL8112629 0.89 FDFT1 (0.47) FDFT1ALDH1A1
SCHEMBL8118721 0.89 MDM2 (0.37) FDFT1ALDH1A1MDM2TP53POLB
SCHEMBL4110330 0.89 MDM2 (0.37) FDFT1ALDH1A1MDM2TP53POLB
SCHEMBL4106920 0.88 ALDH1A1 (0.39) FDFT1ALDH1A1MDM2POLBCDC25A
SCHEMBL4105601 0.88 MDM2 (0.39) FDFT1ALDH1A1MDM2TP53POLB
SCHEMBL8117935 0.88 MDM2 (0.39) FDFT1ALDH1A1MDM2TP53POLB
SCHEMBL4110616 0.86 FDFT1 (0.44) FDFT1POLB
SCHEMBL8102443 0.86 FDFT1 (0.44) FDFT1POLB

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