SCHEMBL28786236

SCHEMBL28786236

CCC(=O)c1cc(OC)cc(C(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.45
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
PPARA Q07869 5/20 0.42
PPARG P37231 4/20 0.42
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1189491 0.85 GSK3B (0.53) F2RKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL846394 0.84 KMT2A (0.58) KMT2APOLBMEN1SMN1; SMN2ALDH1A1
SCHEMBL14132732 0.81 RXRA (0.47) KMT2AMEN1KDM4E
SCHEMBL1190059 0.81 LMNA (0.44) F2RKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL22435058 0.79 KMT2A (0.42) F2RKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL19862477 0.77 KMT2A (0.47) KMT2APOLBMEN1SMN1; SMN2NPC1
SCHEMBL16951122 0.77 ALDH1A1 (0.39) F2RKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL19107523 0.76 CES2 (0.42) PPARAPPARGSMN1; SMN2ALDH1A1
SCHEMBL27915406 0.76 DDR1 (0.46) F2RKMT2APOLBMEN1SMN1; SMN2
SCHEMBL16955483 0.75 ABCB11 (0.36) F2RKMT2AMEN1SMN1; SMN2NPC1

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
CN-101981035-A Triazolium salts as PAR1 inhibitors, their preparation and their use as medicaments SANOFI AVENTIS 2011-02-23 CN disclosed