SCHEMBL15061768

SCHEMBL15061768

C[C@@H](N)C(=O)NCC(CNC(=O)CCCc1ccccc1)OP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
SRC P12931 1/20 0.47
PIN1 Q13526 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 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
SCHEMBL15061770 0.90 HPGD (0.62) HPGDLMNAPKMOPRM1OPRD1
SCHEMBL15061772 0.87 HPGD (0.50) HPGDLMNAPKMSRCPIN1
SCHEMBL15048814 0.87 HPGD (0.50) HPGDLMNAPKMSRCPIN1
SCHEMBL15061774 0.85 HPGD (0.47) HPGDLMNAPKMSRCPIN1
SCHEMBL15061775 0.83 HPGD (0.67) HPGDLMNAPKMSMN1; SMN2OPRM1
SCHEMBL15048928 0.79 HPGD (0.51) HPGDLMNAPKMSMN1; SMN2CYP2D6
SCHEMBL15061773 0.79 HPGD (0.51) HPGDLMNAPKMSMN1; SMN2CYP2D6
SCHEMBL15048742 0.77 HPGD (0.52) HPGDLMNAPKMOPRM1OPRD1
SCHEMBL15061769 0.74 HPGD (0.52) HPGDLMNAPKMSMN1; SMN2OPRM1
SCHEMBL28808203 0.74 HPGD (1.00) HPGDLMNAPKMSMN1; SMN2OPRM1

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