SCHEMBL9716258

SCHEMBL9716258

CCCCCCCCCCCCCCCCCCOCC(C[S+]([O-])CCCCCOCCCCCOS(C)(=O)=O)Oc1ncccn1

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.31
RECQL P46063 2/20 0.31
TSHR P16473 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
EPHX2 P34913 1/20 0.31
BLM P54132 1/20 0.31
PLA2G2C Q5R387 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MMP9 P14780 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL9716240 0.97 PLA2G2A (0.31) PLA2G2ARECQLTSHRGLAHPGD
SCHEMBL9716253 0.93 PLA2G2A (0.31) PLA2G2A
SCHEMBL9716309 0.91
SCHEMBL9720198 0.86 PLA2G2A (0.39) PLA2G2ARECQLTSHRGLAHPGD
SCHEMBL9716359 0.85 HTT (0.35) PLA2G2AUSP2
SCHEMBL9716228 0.84 PLA2G2C (0.31) PLA2G2APLA2G2C
SCHEMBL9720221 0.84 PLA2G2A (0.38) PLA2G2ATSHRPLA2G2CKDM4EUSP2
SCHEMBL9720263 0.84 PLA2G2A (0.38) PLA2G2ATSHRPLA2G2CKDM4EUSP2
SCHEMBL9716222 0.83 HTT (0.35) PLA2G2APLA2G2CUSP2
SCHEMBL9716261 0.81 MEN1 (0.40) PLA2G2ATSHRMAPK1USP2ALDH1A1

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-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed
EP-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed