SCHEMBL4287696

SCHEMBL4287696

CCOC1NC(c2ccccc2)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.34
CA2 P00918 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4248313 0.74 CA2 (0.39) KMT2AMEN1ALDH1A1TSHRCA2
SCHEMBL14587066 0.72 CACNA1G (0.44) KMT2AMEN1ALDH1A1GAACYP1A2
SCHEMBL5803864 0.72 CA2 (0.40) KMT2AKDM4EALDH1A1GAAHSD17B10
SCHEMBL11384694 0.69 KDM4E (0.36) KMT2AMEN1KDM4EUSP2HSD17B10
SCHEMBL6552953 0.67 KDM4E (0.36) KMT2AKDM4ETSHRLMNAADORA3
SCHEMBL5964371 0.66 ALDH1A1 (0.42) KMT2AMEN1KDM4EUSP2ALDH1A1
SCHEMBL14876802 0.66 ALDH1A1 (0.42) KMT2AMEN1KDM4EUSP2ALDH1A1
SCHEMBL31650964 0.64 ALDH1A1 (0.56) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL28054369 0.64 HRH3 (0.43) GAACYP1A2CYP2C19
SCHEMBL22721611 0.63 SMN1; SMN2 (0.41) KMT2AMEN1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203586-A1 METHOD FOR AMELIORATING AN INFLAMMATORY SKIN CONDITION SYNGENTA LIMITED (GB) 2009-08-13 US disclosed
EP-1758990-A2 METHOD FOR AMELIORATING AN INFLAMMATORY SKIN CONDITION Syngenta Limited (GB) 2007-03-07 EP disclosed
WO-2005121329-A2 METHOD FOR AMELIORATING AN INFLAMMATORY SKIN CONDITION SYNGENTA LIMITED (GB) 2005-12-22 WO disclosed
WO-2005121328-A2 METHOD FOR AMELIORATING AN INFLAMMATORY SKIN CONDITION SYNGENTA LIMITED (GB) 2005-12-22 WO disclosed