SCHEMBL7365885

SCHEMBL7365885

NC(CCCC(Br)C(=O)O)C(=O)OCc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
NR4A2 P43354 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
IDO1 P14902 2/20 0.39
NPC1 O15118 2/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL9333977 0.90 SLC1A5 (0.55) SLC1A5L3MBTL1RAB9AMAPTPPARG
SCHEMBL7360797 0.90 SLC1A5 (0.55) SLC1A5L3MBTL1RAB9AMAPTPPARG
SCHEMBL6743997 0.80 SLC1A5 (0.43) SLC1A5L3MBTL1RAB9AMAPTNR4A2
SCHEMBL10458548 0.76 MAPT (0.45) SLC1A5RAB9AMAPTPPARGPPARA
SCHEMBL9556905 0.76 PPARA (0.44) PPARGPPARAIDO1CYP1A2CYP3A4
SCHEMBL9496401 0.76 PPARA (0.44) PPARGPPARAIDO1CYP1A2CYP3A4
SCHEMBL10335615 0.75 SLC1A5 (0.54) SLC1A5RAB9APPARGPPARANR4A2
SCHEMBL6281421 0.75 DPP8 (0.59) MMP2MMP9
SCHEMBL29400837 0.74 KEAP1 (0.57) SLC1A5L3MBTL1RAB9AMAPTCASP3
SCHEMBL30600462 0.74 KEAP1 (0.57) SLC1A5L3MBTL1RAB9AMAPTCASP3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0578728-B1 PLATELET AGGREGATION INHIBITORS HAVING HIGH SPECIFICITY FOR GP IIbIIIa GENENTECH INC (US) 1998-07-01 EP disclosed
US-5756452-A CYCLIC POLYPEPTIDE GENENTECH, INC. (US) 1998-05-26 US disclosed
US-5493007-A OLIGOPEPTIDE GENENTECH, INC. (US) 1996-02-20 US disclosed
EP-0578728-A1 PLATELET AGGREGATION INHIBITORS HAVING HIGH SPECIFICITY FOR GP IIbIIIa GENENTECH, INC. (US) 1994-01-19 EP disclosed
WO-1992017492-A1 PLATELET AGGREGATION INHIBITORS HAVING HIGH SPECIFICITY FOR GP IIbIII¿a? GENENTECH, INC. (US) 1992-10-15 WO disclosed