SCHEMBL9720263

SCHEMBL9720263

CCCCCCCCCCCCCCCCCCOCC(COCCOCCOCCOS(C)(=O)=O)Oc1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.38
PLA2G2C Q5R387 2/20 0.34
LPAR1 Q92633 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33
USP2 O75604 2/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G5 P39877 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
TLR2 O60603 1/20 0.32

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
SCHEMBL9720221 1.00 PLA2G2A (0.38) PLA2G2APLA2G2CLPAR1LPAR3USP2
SCHEMBL9720198 0.95 PLA2G2A (0.39) PLA2G2APLA2G2CLPAR1LPAR3USP2
SCHEMBL9716384 0.90 PLA2G2C (0.33) PLA2G2APLA2G2CPLA2G10PLA2G1BPLA2G5
SCHEMBL9716406 0.89 TLR2 (0.33) PLA2G2APLA2G2CTLR2
SCHEMBL9716310 0.88 TLR2 (0.33) PLA2G2ATLR2
SCHEMBL9716253 0.88 PLA2G2A (0.31) PLA2G2A
SCHEMBL9716228 0.87 PLA2G2C (0.31) PLA2G2APLA2G2C
SCHEMBL9716272 0.87 PLA2G2C (0.33) PLA2G2APLA2G2CUSP2KDM4EALDH1A1
SCHEMBL9716309 0.86
SCHEMBL9716274 0.86 PLA2G2C (0.33) PLA2G2APLA2G2CUSP2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081245-A Selective antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 US disclosed
US-4920134-A ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-24 US disclosed
EP-0356765-A2 Carboxylic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-03-07 EP disclosed
EP-0302744-A2 Glycerol derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed