SCHEMBL9716461

SCHEMBL9716461

CCCCCCCCCCCCCCCCCCOCC(C[S+]([O-])CCOCCN1C=CN(CCCCCC(=O)O)C1)Oc1ncccn1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.34
RECQL P46063 1/20 0.34
S1PR5 Q9H228 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
PTGER4 P35408 9/20 0.32
PTGER3 P43115 7/20 0.32
PTGER2 P43116 5/20 0.32
TBXA2R P21731 1/20 0.31
PTGER1 P34995 1/20 0.30
TLR2 O60603 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
SCHEMBL9716472 0.90 S1PR5 (0.37) PLA2G4BRECQLS1PR5PLA2G2CTBXA2R
Hydrochloric Acid SCHEMBL9720212 0.82 PPARG (0.40) PLA2G2CPTGER2TLR2
Hydrochloric Acid SCHEMBL10384999 0.81 PLA2G2A (0.33) TLR2
SCHEMBL9716261 0.79 MEN1 (0.40)
SCHEMBL10436743 0.78
SCHEMBL9716257 0.78 MEN1 (0.43) TLR2
SCHEMBL10436740 0.76
SCHEMBL9716293 0.75 PPARA (0.31)
SCHEMBL9716253 0.75 PLA2G2A (0.31)
Hydrochloric Acid SCHEMBL9716349 0.75 KMT2A (0.36) TBXA2R

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 claimed
EP-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP claimed