SCHEMBL16622800

SCHEMBL16622800

C[C@@H](COc1cnc(-c2nc3ccc(OCCC4CC4(C)F)cc3o2)c(F)c1)NC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.37
ACACA Q13085 5/20 0.37
F2RL3 Q96RI0 2/20 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
SCHEMBL9114523 0.95 ACACB (0.37) ACACBACACAF2RL3
SCHEMBL9110349 0.89 ACACB (0.37) ACACBACACAF2RL3
SCHEMBL9112166 0.89 ACACB (0.43) ACACBACACA
SCHEMBL9114322 0.88 ACACB (0.43) ACACBACACA
SCHEMBL9112940 0.87 ACACA (0.44) ACACBACACAF2RL3
SCHEMBL9114142 0.85 ACACA (0.51) ACACBACACAF2RL3
SCHEMBL9111126 0.84 ACACB (0.36) ACACBACACAF2RL3
SCHEMBL9114057 0.82 ACACB (0.44) ACACBACACA
SCHEMBL9111735 0.82 ACACB (0.51) ACACBACACA
SCHEMBL10288705 0.82 TLR9 (0.34) ACACBACACA

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
EP-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed