SCHEMBL8102417

SCHEMBL8102417

COc1cccc(C(O)c2cc(Cl)ccc2NCC(C)(C)C)c1OC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 8/20 0.49
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
LPAR1 Q92633 4/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL8561726 0.91 FDFT1 (0.47) FDFT1ALDH1A1MAPTLPAR1MEN1
SCHEMBL8561718 0.91 FDFT1 (0.47) FDFT1ALDH1A1MAPTLPAR1MEN1
SCHEMBL8110836 0.91 FDFT1 (0.46) FDFT1LPAR1
SCHEMBL4682160 0.90 FDFT1 (0.45) FDFT1ALDH1A1MAPTLPAR1MEN1
SCHEMBL4682165 0.90 FDFT1 (0.45) FDFT1ALDH1A1MAPTLPAR1MEN1
SCHEMBL4287472 0.88 FDFT1 (0.42) FDFT1ALDH1A1SIGMAR1
SCHEMBL8560596 0.81 LPAR1 (0.47) FDFT1ALDH1A1MAPTLPAR1MEN1
SCHEMBL8567301 0.81 LPAR1 (0.47) FDFT1ALDH1A1MAPTLPAR1MEN1
SCHEMBL8566775 0.81 LPAR1 (0.47) FDFT1ALDH1A1MAPTLPAR1MEN1
SCHEMBL8116528 0.81 ALDH1A1 (0.43) FDFT1ALDH1A1MAPTMEN1KMT2A

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 3 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 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