SCHEMBL8907775

SCHEMBL8907775

CC(C)(C)NC(=O)[C@@H]1CC(O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HTRA1 Q92743 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
ATM Q13315 1/20 0.38
HSD11B1 P28845 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6319198 1.00 POLB (0.57) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL6321596 1.00 POLB (0.57) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL24441127 0.87 POLB (0.58) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL29044251 0.87 POLB (0.58) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL29044252 0.87 POLB (0.58) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL23897273 0.86 POLB (0.53) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL23881175 0.86 POLB (0.53) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL23881172 0.86 POLB (0.53) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL23881173 0.86 POLB (0.53) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL7391429 0.86 POLB (0.44) POLBCYP1A2CYP3A4CYP2C19CHRM2

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-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed