SCHEMBL6201398

SCHEMBL6201398

COc1cc(OC)c(CC(N)=O)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
RAD52 P43351 1/20 0.41
ERN1 O75460 1/20 0.41

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
SCHEMBL1599400 0.82 HSD17B10 (0.56) PTPN1SMN1; SMN2USP2CYP3A4MAPK1
SCHEMBL29043392 0.81 PTPN1 (0.45) PTPN1SMN1; SMN2USP2CYP3A4MAPK1
SCHEMBL15756386 0.79 PTPN1 (0.44) PTPN1SMN1; SMN2USP2CYP3A4MAPK1
SCHEMBL10683811 0.79 USP2 (0.44) PTPN1SMN1; SMN2USP2CYP3A4MAPK1
SCHEMBL11220923 0.78 PLA2G2A (0.51) SMN1; SMN2LMNAHSD17B10CA12CA1
SCHEMBL27986455 0.77 CYP3A4 (0.49) PTPN1SMN1; SMN2USP2CYP3A4MAPK1
SCHEMBL8154596 0.77 CYP3A4 (0.53) PTPN1SMN1; SMN2USP2CYP3A4MAPK1
SCHEMBL30522046 0.77 KMT2A (0.56) SMN1; SMN2LMNAHTTHSD17B10CA12
SCHEMBL3456256 0.77 KMT2A (0.56) SMN1; SMN2LMNAHTTHSD17B10CA12
SCHEMBL2847513 0.76 MAPK8 (0.50) CYP3A4CA2NPC1ALDH1A1

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
US-8329948-B2 Method for the synthesis of substituted formylamines and substituted amines BOBYLEV MIKHAIL (US) 2012-12-11 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed