SCHEMBL27608697

SCHEMBL27608697

O=C(O)Cc1cc(-c2ccccc2)ccc1NC(=O)OCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.65
MGLL Q99685 3/20 0.56
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
EPHX1 P07099 1/20 0.47
PTPN1 P18031 1/20 0.46
ABCC4 O15439 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
PTGS1 P23219 1/20 0.46
HTT P42858 1/20 0.46
HDAC3 O15379 1/20 0.46
SUCNR1 Q9BXA5 1/20 0.46
NAAA Q02083 1/20 0.44
ROCK2 O75116 1/20 0.44
MAOB P27338 1/20 0.44
MMP12 P39900 1/20 0.44

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
SCHEMBL6166293 0.83 PTPN1 (0.61) ENPP2MGLLNPC1RAB9AHDAC1
SCHEMBL1163050 0.81 NPC1 (0.64) ENPP2MGLLNPC1RAB9APTPN1
SCHEMBL6161722 0.80 MGLL (0.56) ENPP2MGLLNPC1RAB9AHDAC1
SCHEMBL3793285 0.79 MGLL (0.63) ENPP2MGLLNPC1RAB9AHDAC1
SCHEMBL27608693 0.78 MGLL (0.54) ENPP2MGLLNPC1RAB9AHDAC1
SCHEMBL5055502 0.77 NPC1 (0.58) ENPP2MGLLNPC1RAB9AEPHX1
SCHEMBL3784629 0.76 HDAC1 (0.72) ENPP2MGLLNPC1RAB9AHDAC1
SCHEMBL11627432 0.76 RAB9A (0.54) ENPP2NPC1RAB9APTPN1LMNA
SCHEMBL3790841 0.74 HDAC1 (0.57) ENPP2MGLLNPC1RAB9AHDAC1
SCHEMBL6164836 0.74 SUCNR1 (0.46) ENPP2MGLLSUCNR1MAOB

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
CN-1527824-A Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derilatives as IP antagonists - 2004-09-08 CN disclosed