SCHEMBL6014104

SCHEMBL6014104

CCCOC(C)CNC(=O)c1cccc(Oc2ccc(C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
GCK P35557 1/20 0.47
MMP13 P45452 2/20 0.47
HPGD P15428 1/20 0.46
MAPK14 Q16539 1/20 0.46
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 2/20 0.45
ATM Q13315 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL8737306 0.81 MMP13 (0.58) SMN1; SMN2ALDH1A1LMNAGCKMMP13
SCHEMBL8736963 0.81 MMP13 (0.56) SMN1; SMN2ALDH1A1LMNAGCKMMP13
SCHEMBL8737464 0.77 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNAGCKMMP13
SCHEMBL8738321 0.74 MAPK14 (0.76) SMN1; SMN2ALDH1A1LMNAMMP13HPGD
SCHEMBL257694 0.74 MMP13 (0.71) SMN1; SMN2GCKMMP13HPGDKMT2A
SCHEMBL14336245 0.72 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1LMNAKMT2AGAA
SCHEMBL6014130 0.71 RAF1 (0.61) SMN1; SMN2ALDH1A1LMNAGCKMMP13
SCHEMBL11668725 0.71 HDAC8 (0.67) SMN1; SMN2ALDH1A1LMNAGCKKMT2A
SCHEMBL8737053 0.70 MEN1 (0.60) SMN1; SMN2ALDH1A1LMNAGCKKMT2A
SCHEMBL14217726 0.70 L3MBTL1 (0.56) SMN1; SMN2GCKMMP13KMT2AHDAC8

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-2298311-B1 w-Carboxy aryl substituted diphenyl ureas as p38 kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-05-09 EP disclosed