SCHEMBL4722588

SCHEMBL4722588

CC(=O)c1cccc(C(=O)N2CCN(C(=O)O)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.59
LMNA P02545 3/20 0.59
TSHR P16473 3/20 0.59
MAPT P10636 2/20 0.59
USP2 O75604 1/20 0.59
ALDH1A1 P00352 5/20 0.56
TP53 P04637 3/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 4/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 4/20 0.51
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL4124827 0.86 HPGD (0.68) MAPK1LMNATSHRMAPTUSP2
SCHEMBL3089166 0.83 MAPK1 (0.59) MAPK1LMNATSHRMAPTUSP2
SCHEMBL3076585 0.82 TSHR (0.67) MAPK1LMNATSHRMAPTUSP2
SCHEMBL4709504 0.82 SIGMAR1 (0.65) MAPK1LMNATSHRMAPTUSP2
SCHEMBL3081883 0.80 SMN1; SMN2 (0.79) MAPK1LMNAUSP2ALDH1A1SMN1; SMN2
SCHEMBL20267423 0.80 MAPK1 (0.59) MAPK1LMNATSHRMAPTUSP2
SCHEMBL2926898 0.80 PKM (0.67) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3093793 0.80 CA12 (0.65) MAPK1LMNATSHRMAPTUSP2
SCHEMBL1938606 0.80 HPGD (0.70) MAPK1LMNATSHRUSP2ALDH1A1
SCHEMBL3731690 0.79 EPHX2 (0.57) MAPK1LMNATSHRMAPTUSP2

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
EP-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 WO disclosed