SCHEMBL15061774

SCHEMBL15061774

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
SRC P12931 1/20 0.39
GPR174 Q9BXC1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PIN1 Q13526 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL15061769 0.93 HPGD (0.52) HPGDOPRM1OPRD1OPRK1LMNA
SCHEMBL15048814 0.90 HPGD (0.50) HPGDOPRM1OPRD1OPRK1LMNA
SCHEMBL15061772 0.90 HPGD (0.50) HPGDOPRM1OPRD1OPRK1LMNA
SCHEMBL15061768 0.85 HPGD (0.57) HPGDOPRM1OPRD1OPRK1LMNA
SCHEMBL15048742 0.82 HPGD (0.52) HPGDOPRM1OPRD1OPRK1LMNA
SCHEMBL15049845 0.78 LPAR1 (0.45) GPR174
SCHEMBL15061852 0.78 LPAR1 (0.45) GPR174
SCHEMBL15048729 0.76 LPAR1 (0.50)
SCHEMBL15061775 0.75 HPGD (0.67) HPGDOPRM1OPRD1OPRK1LMNA
SCHEMBL15048730 0.75 LPAR1 (0.41)

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