SCHEMBL11765835

SCHEMBL11765835

CCOC(=O)Nc1c2ccccc2c(NC(=O)OCC)c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.76
GLA P06280 1/20 0.76
POLB P06746 1/20 0.76
HPGD P15428 4/20 0.63
ALDH1A1 P00352 2/20 0.63
NLRP3 Q96P20 6/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
LMNA P02545 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50

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
SCHEMBL11765560 0.86 KDM4E (0.68) KDM4EGLAPOLBHPGDALDH1A1
SCHEMBL11340283 0.83 HPGD (0.76) KDM4EGLAPOLBHPGDALDH1A1
SCHEMBL9359788 0.81 NLRP3 (0.78) KDM4EGLAPOLBHPGDALDH1A1
SCHEMBL10447849 0.81 ALDH1A1 (0.71) KDM4EGLAPOLBHPGDALDH1A1
SCHEMBL11768676 0.81 KDM4E (0.61) KDM4EGLAPOLBHPGDALDH1A1
SCHEMBL28401182 0.80 ALDH1A1 (0.72) KDM4EGLAPOLBHPGDALDH1A1
SCHEMBL7916743 0.79 ALDH1A1 (0.81) KDM4EGLAPOLBHPGDALDH1A1
SCHEMBL11768819 0.79 KDM4E (0.58) KDM4EGLAPOLBHPGDALDH1A1
Ethyl Phenylcarbamate SCHEMBL11593824 0.78 RAB9A (0.75) KDM4EGLAPOLBHPGDALDH1A1
Ethyl Phenylcarbamate SCHEMBL264865 0.78 RAB9A (0.75) KDM4EGLAPOLBHPGDALDH1A1

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-3962302-A Production of isocyanates from esters of carbamic acids (urethanes) ATLANTIC RICHFIELD COMPANY (US) 1976-06-08 US disclosed