SCHEMBL9716240

SCHEMBL9716240

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

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.31
RECQL P46063 2/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
EPHX2 P34913 1/20 0.30
BLM P54132 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
SCHEMBL9716258 0.97 PLA2G2A (0.31) PLA2G2ARECQLGLAHPGDTSHR
SCHEMBL9716253 0.92 PLA2G2A (0.31) PLA2G2A
SCHEMBL9716309 0.90
SCHEMBL9720198 0.85 PLA2G2A (0.39) PLA2G2ARECQLGLAHPGDTSHR
SCHEMBL9716222 0.85 HTT (0.35) PLA2G2A
SCHEMBL9716228 0.83 PLA2G2C (0.31) PLA2G2A
SCHEMBL9720221 0.83 PLA2G2A (0.38) PLA2G2ATSHR
SCHEMBL9720263 0.83 PLA2G2A (0.38) PLA2G2ATSHR
SCHEMBL9716359 0.83 HTT (0.35) PLA2G2A
SCHEMBL9716274 0.81 PLA2G2C (0.33) PLA2G2ATSHR

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