SCHEMBL4751579

SCHEMBL4751579

COc1cccc(C(=O)[C@H]2CN(C(=O)O)C[C@@H](C(=O)c3cccc(OC)c3)C2c2cccc(F)c2C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.43
HSD11B1 P28845 1/20 0.43
KDM2B Q8NHM5 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 2/20 0.39
MGLL Q99685 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GFER P55789 1/20 0.38
TSHR P16473 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
SCHEMBL4751582 1.00 KMT2A (0.46) KMT2AHTTALDH1A1HSD11B1KDM2B
SCHEMBL4751581 1.00 KMT2A (0.46) KMT2AHTTALDH1A1HSD11B1KDM2B
SCHEMBL4022793 0.92 KMT2A (0.43) KMT2AHTTALDH1A1HSD11B1KDM2B
SCHEMBL4022795 0.92 KMT2A (0.43) KMT2AHTTALDH1A1HSD11B1KDM2B
SCHEMBL4022254 0.91 SMN1; SMN2 (0.45) KMT2AHTTALDH1A1HSD11B1KDM2B
SCHEMBL13721371 0.91 SMN1; SMN2 (0.45) KMT2AHTTALDH1A1HSD11B1KDM2B
SCHEMBL4022259 0.91 SMN1; SMN2 (0.45) KMT2AHTTALDH1A1HSD11B1KDM2B
SCHEMBL4025311 0.86 HSD11B1 (0.41) KMT2AHTTALDH1A1HSD11B1KDM2B
SCHEMBL4025306 0.86 HSD11B1 (0.41) KMT2AHTTALDH1A1HSD11B1KDM2B
SCHEMBL4023656 0.86 MGLL (0.38) KMT2AALDH1A1MEN1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed