SCHEMBL15048814

SCHEMBL15048814

CC(N)C(=O)NCC(CNC(=O)CCCc1ccccc1)OP(=O)(O)OCCN

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
MMP2 P08253 2/20 0.41
SRC P12931 1/20 0.41
GPR174 Q9BXC1 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PIN1 Q13526 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL15061772 1.00 HPGD (0.50) HPGDLMNAPKMMMP2SRC
SCHEMBL15048742 0.92 HPGD (0.52) HPGDLMNAPKMMMP2OPRM1
SCHEMBL15061774 0.90 HPGD (0.47) HPGDLMNAPKMSRCGPR174
SCHEMBL15061768 0.87 HPGD (0.57) HPGDLMNAPKMSRCOPRM1
SCHEMBL15061769 0.81 HPGD (0.52) HPGDLMNAPKMOPRM1OPRD1
SCHEMBL15061775 0.77 HPGD (0.67) HPGDLMNAPKMMMP2OPRM1
SCHEMBL15061770 0.77 HPGD (0.62) HPGDLMNAPKMOPRM1OPRD1
SCHEMBL15048928 0.74 HPGD (0.51) HPGDLMNAPKMSMN1; SMN2
SCHEMBL15061773 0.74 HPGD (0.51) HPGDLMNAPKMSMN1; SMN2
SCHEMBL28808203 0.69 HPGD (1.00) HPGDLMNAPKMOPRM1OPRD1

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-2607367-A1 Glycerol phenyl butyrate derivatives Lunamed AG (CH) 2013-06-26 EP disclosed