SCHEMBL4720191

SCHEMBL4720191

COc1cc(OC)cc(-c2nn(-c3cc(N4CCC(OCCCNC(C)=O)C4)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.37
NOTUM Q6P988 1/20 0.35
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LIPG Q9Y5X9 4/20 0.34
LIPC P11150 2/20 0.34
UGCG Q16739 1/20 0.34
FFAR1 O14842 1/20 0.33
SCD O00767 1/20 0.32
GRIA2 P42262 1/20 0.32
GAA P10253 1/20 0.32
F10 P00742 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL4719026 0.96 ACACB (0.38) ACACBNOTUMKMT2ALIPGLIPC
SCHEMBL4721893 0.91 LIPG (0.35) ACACBNOTUMLIPGLIPCUGCG
SCHEMBL4718837 0.89 LIPG (0.39) ACACBNOTUMLIPGLIPCUGCG
SCHEMBL4721508 0.88 ACACB (0.35) ACACBNOTUMLIPGLIPCUGCG
SCHEMBL4722947 0.88 MAPT (0.39) ACACBNOTUMKMT2AKDM4EUGCG
SCHEMBL4719633 0.87 ACACB (0.35) ACACBNOTUMLIPGUGCGFFAR1
SCHEMBL4722323 0.85 PDE4A (0.36) ACACBNOTUMUGCGFFAR1F10
SCHEMBL4722220 0.85 GRIA2 (0.35) ACACBUGCGSCDGRIA2F10
SCHEMBL4724110 0.84 SMPD3 (0.40) ACACBUGCGF10
SCHEMBL4720529 0.84 SMPD3 (0.40) ACACBUGCGF10

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed