SCHEMBL7100077

SCHEMBL7100077

CC(=O)OC(N)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.58
PKM P14618 1/20 0.58
PTGS1 P23219 1/20 0.58
XIAP P98170 1/20 0.58
SLC7A5 Q01650 1/20 0.58
EPHX1 P07099 1/20 0.52
CYP1A2 P05177 1/20 0.52
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
SLC15A1 P46059 1/20 0.50
SRR Q9GZT4 2/20 0.49
ALDH1A1 P00352 1/20 0.48
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP2A6 P11509 1/20 0.48

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
SCHEMBL341158 1.00 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL16099181 0.84 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL15064920 0.84 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL16389891 0.84 SLC7A5 (0.41) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3292417 0.83 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL31553563 0.82 ALDH1A1 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL237342 0.82 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27808238 0.82 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5617244 0.81 ALDH1A1 (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9028692 0.81 ALDH1A1 (0.52) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
EP-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO disclosed