SCHEMBL1123606

SCHEMBL1123606

CCCCc1ccc(COc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 3/20 0.64
PTPN1 P18031 3/20 0.59
PPARG P37231 3/20 0.59
MME P08473 1/20 0.59
ACE P12821 1/20 0.59
CPA1 P15085 1/20 0.59
ACE2 Q9BYF1 1/20 0.59
RAB9A P51151 2/20 0.58
GAA P10253 1/20 0.58
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
GPR34 Q9UPC5 2/20 0.55
ITGB1 P05556 1/20 0.55
ITGA4 P13612 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53

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
SCHEMBL1123211 1.00 GPR132 (0.64) GPR132PTPN1PPARGMMEACE
SCHEMBL1123256 1.00 GPR132 (0.64) GPR132PTPN1PPARGMMEACE
SCHEMBL1123184 0.94 GPR132 (0.67) GPR132PTPN1PPARGMMEACE
SCHEMBL1123685 0.92 RAB9A (0.71) GPR132PTPN1PPARGRAB9AGAA
SCHEMBL1122923 0.92 RAB9A (0.71) GPR132PTPN1PPARGRAB9AGAA
SCHEMBL1123687 0.92 RAB9A (0.71) GPR132PTPN1PPARGRAB9AGAA
SCHEMBL27638041 0.92 RAB9A (0.71) GPR132PTPN1PPARGRAB9AGAA
SCHEMBL1122857 0.91 GPR132 (0.67) GPR132PTPN1PPARGMMEACE
SCHEMBL27659028 0.91 GPR132 (0.67) GPR132PTPN1PPARGMMEACE
SCHEMBL27638098 0.91 GPR132 (0.77) GPR132PTPN1GPR34

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-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed