SCHEMBL4332109

SCHEMBL4332109

CN(CCc1ccccc1)C(=O)[C@H](CCc1ccc(O)cc1)NC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
OPRK1 P41145 6/20 0.52
OPRM1 P35372 5/20 0.52
OPRD1 P41143 5/20 0.52
MMP8 P22894 2/20 0.47
LTB4R Q15722 2/20 0.45
LTB4R2 Q9NPC1 2/20 0.45
ACE P12821 2/20 0.45
ESRRG P62508 1/20 0.44
SLC6A5 Q9Y345 1/20 0.43
ABCC1 P33527 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
MLYCD O95822 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL15936045 0.83 RAB9A (0.55) ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL12115019 0.82 CTSL (0.51) KDM4EOPRK1OPRM1OPRD1POLB
SCHEMBL24414243 0.81 MMP9 (0.54) MMP8ACEALDH1A1KMT2ASMN1; SMN2
SCHEMBL30511397 0.80 ESRRG (0.43) KDM4EOPRK1OPRM1OPRD1LTB4R
SCHEMBL7993920 0.80 ALDH1A1 (0.39) ACEALDH1A1KMT2ASMN1; SMN2
SCHEMBL7993921 0.80 ALDH1A1 (0.39) ACEALDH1A1KMT2ASMN1; SMN2
SCHEMBL6468008 0.76 SMN1; SMN2 (0.48) ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL27215383 0.76 SMN1; SMN2 (0.48) ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL4324353 0.76 HPGD (0.62) KDM4EOPRK1OPRM1OPRD1LTB4R
SCHEMBL4319665 0.76 KMT2A (0.64) KDM4EOPRK1OPRM1OPRD1LTB4R

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
WO-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO claimed