SCHEMBL9716384

SCHEMBL9716384

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)CCOCCOS(C)(=O)=O)Oc1ncccn1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 2/20 0.33
PLA2G2A P14555 5/20 0.32
TLR2 O60603 2/20 0.31
PLA2G10 O15496 1/20 0.30
PLA2G1B P04054 1/20 0.30
PLA2G5 P39877 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
SCHEMBL9716272 0.93 PLA2G2C (0.33) PLA2G2CPLA2G2ATLR2
SCHEMBL9716274 0.92 PLA2G2C (0.33) PLA2G2CPLA2G2ATLR2
SCHEMBL9720221 0.90 PLA2G2A (0.38) PLA2G2CPLA2G2ATLR2PLA2G10PLA2G1B
SCHEMBL9720263 0.90 PLA2G2A (0.38) PLA2G2CPLA2G2ATLR2PLA2G10PLA2G1B
SCHEMBL9716329 0.87 MEN1 (0.40) PLA2G2CPLA2G2ATLR2
SCHEMBL9720198 0.85 PLA2G2A (0.39) PLA2G2CPLA2G2A
Hydrochloric Acid SCHEMBL9716466 0.85 PRKD3 (0.45)
SCHEMBL9716254 0.83 HTT (0.35) PLA2G2CPLA2G2ATLR2PLA2G10PLA2G1B
SCHEMBL9716235 0.83 HTT (0.35) PLA2G2CPLA2G2ATLR2PLA2G10PLA2G1B
Hydrochloric Acid SCHEMBL9716388 0.83 KMT2A (0.36) PLA2G1B

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