SCHEMBL11901445

SCHEMBL11901445

NC(=O)c1ccc(Cc2ccccc2)c(Cc2ccccc2)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.46
PLA2G10 O15496 5/20 0.46
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTPN1 P18031 3/20 0.40
PTPN2 P17706 1/20 0.40
PTPN6 P29350 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CDC7 O00311 1/20 0.39
TSHR P16473 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
SCHEMBL184570 0.84 MAPK8 (0.39) ALDH1A1LMNA
SCHEMBL28180065 0.84 PTPN1 (0.46) PLA2G2APLA2G10PTPN1PTPN2PTPN6
SCHEMBL5550700 0.83 PLA2G2A (0.45) PLA2G2APLA2G10ALDH1A1PTPN1PTPN2
SCHEMBL28180892 0.83 PLA2G2A (0.45) PLA2G2APLA2G10PTPN1PTPN2PTPN6
SCHEMBL15621741 0.81 PLA2G2A (0.50) PLA2G2APLA2G10ALDH1A1MAPTUSP2
SCHEMBL28681774 0.81 PLA2G2A (0.57) PLA2G2APLA2G10ALDH1A1MAPTUSP2
SCHEMBL22265949 0.80 PLA2G2A (0.49) PLA2G2APLA2G10ALDH1A1MAPTUSP2
SCHEMBL28193149 0.80 PLA2G2A (0.49) PLA2G2APLA2G10PTPN1PTPN2PTPN6
SCHEMBL1888529 0.80 PTPN1 (0.49) ALDH1A1MAPTPTPN1PTPN2PTPN6
SCHEMBL28249871 0.79 PLA2G2A (0.41) PLA2G2APLA2G10ALDH1A1MAPTUSP2

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-8377530-B2 Polyesters with low molecular weight additives for improved gas barrier properties EASTMAN CHEMICAL COMPANY (US) 2013-02-19 US disclosed
US-20120199515-A1 POLYESTERS WITH LOW MOLECULAR WEIGHT ADDITIVES FOR IMPROVED GAS BARRIER PROPERTIES EASTMAN CHEMICAL COMPANY (US) 2012-08-09 US disclosed