SCHEMBL4560949

SCHEMBL4560949

CC1(Cc2ccc3c(c2)OCO3)NC(=O)NC1=O.CC1(Cc2ccc3c(c2)OCO3)NC(=O)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
CMA1 P23946 1/20 0.46
CYP3A4 P08684 4/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP2D6 P10635 1/20 0.44
SLC6A1 P30531 1/20 0.44
TAAR1 Q96RJ0 3/20 0.42
SLC6A4 P31645 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 1/20 0.41
MIF P14174 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 3/20 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
SCHEMBL10576223 1.00 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10KDM4EGLA
SCHEMBL2893747 1.00 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10KDM4EGLA
SCHEMBL11646457 0.78 CMA1 (0.43) ALDH1A1GAAHSD17B10KDM4EGLA
SCHEMBL17294177 0.74 HDAC1 (0.46) ALDH1A1GAAHPGDMAPK1CMA1
SCHEMBL7104749 0.74 ADAMTS5 (0.46) ALDH1A1CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL9422803 0.74 ADAMTS5 (0.46) ALDH1A1CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL102280 0.72 LMNA (0.50) ALDH1A1GAAHSD17B10KDM4EHPGD
SCHEMBL2893907 0.71 SMN1; SMN2 (0.52) ALDH1A1KDM4ESMN1; SMN2NPSR1KMT2A
SCHEMBL14248574 0.71 CYP3A4 (0.51) ALDH1A1GAACMA1CYP3A4SLC6A2
SCHEMBL11644296 0.71 ALDH1A1 (0.47) ALDH1A1GAAHSD17B10KDM4EGLA

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
US-7557175-B2 Poly(carbonate-co-urea) copolymers and melt transesterification method of preparing these copolymers SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-07-07 US disclosed