SCHEMBL15623830

SCHEMBL15623830

NC(Cc1ccccc1)C(=O)NCc1cccc(CNC(=O)C(N)Cc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.59
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
SLC7A5 Q01650 1/20 0.56
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54
SLC15A1 P46059 1/20 0.53
MMP8 P22894 1/20 0.53
CTSC P53634 1/20 0.52
MMP2 P08253 1/20 0.52
EGFR P00533 2/20 0.52
SRC P12931 1/20 0.52

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
SCHEMBL15680121 0.94 OPRK1 (0.55) OPRK1ALPIPKMPTGS1XIAP
SCHEMBL3114367 0.92 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7413310 0.92 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL27492563 0.90 MMP8 (0.59) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL3385081 0.90 MMP8 (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21781783 0.84 MMP8 (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21137540 0.84 MMP8 (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8131629 0.83 ALDH1A1 (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8817411 0.83 ALDH1A1 (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8817408 0.83 ALDH1A1 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140117280-A1 OXYGEN ABSORBER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-05-01 US disclosed
EP-2711077-A1 OXYGEN ABSORBER Mitsubishi Gas Chemical Company, Inc. (JP) 2014-03-26 EP disclosed