SCHEMBL18403602

SCHEMBL18403602

CCOc1ccc(C[C@@H](NC)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
PPARG P37231 2/20 0.53
PPARA Q07869 2/20 0.51
ACACB O00763 8/20 0.50
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
SUCNR1 Q9BXA5 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PLK1 P53350 1/20 0.49

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
SCHEMBL16122883 1.00 GAA (0.53) GAARAB9APPARGPPARAACACB
SCHEMBL31370316 0.88 LMNA (0.57) PPARGACACBITGB3ITGA2BCYP2C19
SCHEMBL16174167 0.88 ACACB (0.53) GAARAB9AACACBPLK1
SCHEMBL15336494 0.88 ACACB (0.53) GAARAB9AACACBPLK1
SCHEMBL16173536 0.86 GAA (0.62) GAARAB9AACACBPLK1
SCHEMBL18647565 0.86 GAA (0.62) GAARAB9AACACBPLK1
SCHEMBL31688723 0.86 PPARG (0.52) PPARGITGB3ITGA2BALDH1A1SMN1; SMN2
SCHEMBL20074215 0.86 ACACB (0.51) GAARAB9AACACBPLK1
SCHEMBL16116803 0.86 ACACB (0.53) RAB9AACACBSUCNR1ALDH1A1POLB
SCHEMBL12597805 0.86 PPARG (0.52) PPARGITGB3ITGA2BALDH1A1SMN1; SMN2

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-2148692-B1 MELANOCORTIN RECEPTOR LIGANDS MODIFIED WITH HYDANTOIN IPSEN PHARMA SAS (FR) 2017-01-25 EP disclosed