SCHEMBL19019341

SCHEMBL19019341

Cc1cc(F)c(OCF)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34
MPI P34949 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR1 O14842 1/20 0.32
ACHE P22303 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
SCHEMBL12231919 0.81 GRIN2D (0.37) MAPTFFAR1
SCHEMBL19829195 0.80 KDM1A (0.33) FFAR1
SCHEMBL13621692 0.74 FFAR1 (0.32) FFAR1
SCHEMBL12799721 0.74 MAOB (0.37) KDM4EALDH1A1POLBGAAKMT2A
SCHEMBL18310450 0.73 PDE3B (0.36) MAPTFFAR1
SCHEMBL13049642 0.73 ACHE (0.60) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL22877078 0.73 THRA (0.42) MAPTKMT2A
SCHEMBL19703009 0.73 MAOB (0.45) MAPTFFAR1ACHE
SCHEMBL17806146 0.73 THRA (0.42)
SCHEMBL130227 0.72 ACHE (0.52) KDM4EALDH1A1POLBGAAMAPT

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
WO-2017102053-A2 CINNAMIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed