SCHEMBL10541018

SCHEMBL10541018

CC(=O)N(CC(=O)N(CC(=O)O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
CYP3A4 P08684 1/20 0.41
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL10540940 0.95 NPSR1 (0.45) NPSR1MMP2MMP9LMNA
SCHEMBL10538089 0.93 NPSR1 (0.46) NPSR1MMP2MMP9CYP3A4CNR2
SCHEMBL10541378 0.85 ALDH1A1 (0.47) CYP3A4
SCHEMBL10540499 0.83 ALDH1A1 (0.46) CYP3A4
SCHEMBL10540452 0.83 MLYCD (0.46) NPSR1MMP2MMP9
SCHEMBL10536974 0.81 ALDH1A1 (0.46) CNR2
SCHEMBL7506151 0.79 MMP2 (0.48) NPSR1MMP2MMP9CYP3A4CNR2
SCHEMBL11155479 0.79 MMP2 (0.49) NPSR1MMP2MMP9CYP3A4
SCHEMBL28431105 0.78 MMP2 (0.45) NPSR1MMP2MMP9CYP3A4CNR2
SCHEMBL935744 0.78 MLYCD (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4846877-A CYCLIC DIMERS OF PHENYLGLYCINE TEIJIN LIMITED (JP) 1989-07-11 US disclosed
US-4772314-A PHENYLGLYCINES, MONOMERIC TEIJIN LIMITED (JP) 1988-09-20 US disclosed
EP-0194679-A2 Plant growth promoter and method of plant growth promotion TEIJIN LIMITED (JP) 1986-09-17 EP disclosed