SCHEMBL9716254

SCHEMBL9716254

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)CCCOCCCO)Oc1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.35
PLA2G2C Q5R387 2/20 0.34
TLR2 O60603 2/20 0.34
PLA2G2A P14555 3/20 0.33
LPAR1 Q92633 5/20 0.33
LPAR3 Q9UBY5 5/20 0.33
LPAR5 Q9H1C0 4/20 0.31
LPAR6 P43657 3/20 0.31
LPAR4 Q99677 3/20 0.31
LPAR2 Q9HBW0 3/20 0.31
PLA2G10 O15496 1/20 0.31
PLA2G1B P04054 1/20 0.31
PLA2G5 P39877 1/20 0.31

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
SCHEMBL9716235 0.96 HTT (0.35) HTTMEN1THRBKMT2AMAPT
SCHEMBL9716329 0.91 MEN1 (0.40) HTTMEN1THRBKMT2AMAPT
Hydrochloric Acid SCHEMBL9716387 0.87 PRKD3 (0.40) MEN1KMT2A
SCHEMBL9716274 0.87 PLA2G2C (0.33) USP2PLA2G2CTLR2PLA2G2A
SCHEMBL9716272 0.86 PLA2G2C (0.33) USP2PLA2G2CTLR2PLA2G2A
Hydrochloric Acid SCHEMBL9716360 0.85 KMT2A (0.39) HTTMEN1THRBKMT2AMAPT
Hydrochloric Acid SCHEMBL9716466 0.83 PRKD3 (0.45) MEN1KMT2A
SCHEMBL9716384 0.83 PLA2G2C (0.33) PLA2G2CTLR2PLA2G2APLA2G10PLA2G1B
Hydrochloric Acid SCHEMBL9716370 0.83 KMT2A (0.41) HTTMEN1KMT2AMAPTPLA2G1B
Hydrochloric Acid SCHEMBL9716234 0.82 PLA2G4A (0.31)

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