SCHEMBL9720198

SCHEMBL9720198

CCCCCCCCCCCCCCCCCCOCC(COCCCCOS(C)(=O)=O)Oc1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
CA1 P00915 8/20 0.36
CA2 P00918 8/20 0.36
CA9 Q16790 7/20 0.36
CA12 O43570 3/20 0.36
CA7 P43166 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
PLA2G2C Q5R387 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
SCHEMBL9720221 0.95 PLA2G2A (0.38) PLA2G2ATSHRKDM4EUSP2ALDH1A1
SCHEMBL9720263 0.95 PLA2G2A (0.38) PLA2G2ATSHRKDM4EUSP2ALDH1A1
SCHEMBL9716272 0.89 PLA2G2C (0.33) PLA2G2ATSHRKDM4EUSP2ALDH1A1
SCHEMBL9716274 0.88 PLA2G2C (0.33) PLA2G2ATSHRKDM4EUSP2ALDH1A1
SCHEMBL9716258 0.86 PLA2G2A (0.31) PLA2G2ATSHRKDM4EUSP2ALDH1A1
SCHEMBL9716384 0.85 PLA2G2C (0.33) PLA2G2APLA2G2C
SCHEMBL9716240 0.85 PLA2G2A (0.31) PLA2G2ATSHRRECQLGLAHPGD
SCHEMBL9716406 0.85 TLR2 (0.33) PLA2G2APLA2G2C
SCHEMBL10516297 0.83 PLA2G2A (0.35) PLA2G2AKDM4EPLA2G2CLPAR1LPAR3
SCHEMBL9716310 0.83 TLR2 (0.33) PLA2G2A

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-5081245-A Selective antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 US disclosed
EP-0356765-A2 Carboxylic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-03-07 EP disclosed