Sugi Predict

Sugi Predict / Compounds / SCHEMBL3071303

SCHEMBL3071303

SCHEMBL3071303

CC(Oc1cc([C@@](Cc2ccccc2)(NC(=O)c2cccc(C(F)(F)F)c2)c2cc(F)cc(C(F)(F)F)c2)ccc1F)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 20/20 0.53
▸ KCNH2 Q12809 10/20 0.52

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
SCHEMBL758868 0.94 CETP (0.51) CETPKCNH2
SCHEMBL758243 0.93 CETP (0.59) CETPKCNH2
SCHEMBL758102 0.93 CETP (0.59) CETPKCNH2
SCHEMBL14316665 0.90 CETP (0.51) CETPKCNH2
SCHEMBL758329 0.90 CETP (0.51) CETPKCNH2
SCHEMBL761066 0.89 CETP (0.57) CETPKCNH2
SCHEMBL759800 0.89 CETP (0.57) CETPKCNH2
SCHEMBL759653 0.87 CETP (0.51) CETPKCNH2
SCHEMBL759654 0.87 CETP (0.51) CETPKCNH2
SCHEMBL759071 0.86 CETP (0.54) CETPKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 — — US claimed