SCHEMBL9575668

SCHEMBL9575668

N#Cc1ccccc1N(CC(=O)O)C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
ADRA2C P18825 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
HDAC6 Q9UBN7 1/20 0.39
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
CTSS P25774 2/20 0.38
CTSL P07711 1/20 0.38
MLYCD O95822 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
LMNA P02545 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL27281765 0.83 NLRP3 (0.45) MEN1KMT2ANPC1TDP1HDAC6
SCHEMBL12818915 0.76 MAOB (0.43) MEN1KMT2ATDP1HDAC6KEAP1
SCHEMBL29879322 0.76 MAOB (0.43) MEN1KMT2ATDP1HDAC6KEAP1
SCHEMBL9575319 0.76 LTB4R2 (0.46) ADRA2CTDP1NPSR1OPRM1OPRD1
SCHEMBL3059779 0.75 KMT2A (0.52) MEN1KMT2ANPC1TDP1LPAR1
SCHEMBL698882 0.73 ADRA2C (0.64) MEN1KMT2ANPC1ADRA2CTDP1
SCHEMBL4773221 0.73 TSHR (0.44) MEN1KMT2ANPC1TDP1NPSR1
SCHEMBL4767667 0.71 KMT2A (0.42) MEN1KMT2ANPC1TDP1HDAC6
SCHEMBL11162092 0.70 KDM4E (0.42) MEN1KMT2ANPC1TDP1HDAC6
SCHEMBL10712041 0.69 ALDH1A1 (0.40) MEN1KMT2ANPC1TDP1HDAC6

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
EP-0280367-B1 Glycine compounds SHELL INT RESEARCH (NL) 1993-11-03 EP disclosed
US-5110348-A Pre-and postemergence SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1992-05-05 US disclosed
EP-0280367-A2 Glycine compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-08-31 EP disclosed