SCHEMBL8775772

SCHEMBL8775772

CC(C)c1ccc(C(CCCN(O)C(N)=O)c2cccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.51
EPHX2 P34913 4/20 0.43
TBXA2R P21731 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRM8 O00222 1/20 0.39
GRM4 Q14833 1/20 0.39
ALOX5 P09917 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
PDE4D Q08499 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL8775928 0.92 TBXAS1 (0.60) TBXAS1EPHX2SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8775891 0.88 TBXAS1 (0.62) TBXAS1EPHX2TBXA2RSMN1; SMN2CYP2C9
SCHEMBL8775850 0.88 TBXAS1 (0.48) TBXAS1EPHX2NPC1RAB9ATP53
SCHEMBL8775863 0.87 TBXAS1 (0.64) TBXAS1EPHX2TBXA2RSMN1; SMN2CYP2C9
SCHEMBL8776095 0.87 TBXAS1 (0.64) TBXAS1EPHX2TBXA2RSMN1; SMN2CYP2C9
SCHEMBL8775780 0.87 TBXAS1 (0.64) TBXAS1EPHX2TBXA2RSMN1; SMN2CYP2C9
SCHEMBL8775884 0.87 TBXAS1 (0.64) TBXAS1EPHX2TBXA2RSMN1; SMN2CYP2C9
SCHEMBL8775861 0.84 TBXAS1 (0.56) TBXAS1EPHX2SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8775800 0.82 TBXAS1 (0.46) TBXAS1EPHX2GRM8GRM4PDE4D
SCHEMBL8775778 0.79 KCNA5 (0.44) TBXAS1EPHX2TBXA2RTP53TRPM8

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-0807626-A1 N-HYDROXYUREA DERIVATIVES Nikken Chemicals Company, Limited (JP) 1997-11-19 EP disclosed