SCHEMBL4780253

SCHEMBL4780253

CCCCCCCC[P+](CC)(CCCCCCCC)CCCCCCCC.O=C([O-])c1cccc2[nH]nnc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
RIPK1 Q13546 1/20 0.33
LTB4R Q15722 3/20 0.32
ALOX5 P09917 2/20 0.32
PARP1 P09874 2/20 0.32
BDKRB2 P30411 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
CA2 P00918 1/20 0.31
CYP3A4 P08684 1/20 0.31
SPHK2 Q9NRA0 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPN6 P29350 1/20 0.30
CDC25B P30305 1/20 0.30
PTPN11 Q06124 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
SCHEMBL6141204 0.95 RIPK1 (0.34) PRSS1PRSS2PRSS3RIPK1LTB4R
SCHEMBL6140866 0.94 DNM1 (0.35) PRSS1PRSS2PRSS3RIPK1LTB4R
SCHEMBL238610 0.91 RIPK1 (0.35) RIPK1LTB4RALOX5PARP1ALDH1A1
SCHEMBL6141547 0.90 PARP1 (0.35) PRSS1PRSS2PRSS3RIPK1LTB4R
SCHEMBL6140803 0.88 BDKRB2 (0.41) PRSS1PRSS2PRSS3LTB4RBDKRB2
SCHEMBL1228378 0.87 RIPK1 (0.33) RIPK1ALOX5PARP1ALDH1A1CA2
SCHEMBL6141556 0.86 ALDH1A1 (0.34) PRSS1PRSS2PRSS3RIPK1LTB4R
SCHEMBL6565315 0.86 PARP1 (0.31) PARP1
SCHEMBL30848497 0.85 PARP1 (0.35) RIPK1PARP1ALDH1A1CA2CYP3A4
SCHEMBL6141401 0.84 RIPK1 (0.31) RIPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180080585-A1 FLUOROELASTOMER/EPDM HOSE FOR COLD-SIDE CHARGE AIR APPLICATIONS CONTITECH MGW GMBH (DE) 2018-03-22 US disclosed
WO-2018050586-A1 FLUOROELASTOMER/EPDM HOSE FOR COLD-SIDE CHARGE AIR APPLICATIONS CONTITECH MGW GMBH (DE) 2018-03-22 WO disclosed
EP-1669188-B1 Hose construction containing NBR elastomer composition and fluoroplastic barrier GOODYEAR TIRE & RUBBER (US) 2008-03-12 EP disclosed
US-20060127619-A1 Hose construction containing NBR elastomer composition and fluoroplastic barrier THE GOODYEAR TIRE & RUBBER COMPANY 2006-06-15 US disclosed
EP-1669188-A1 Hose construction containing NBR elastomer composition and fluoroplastic barrier THE GOODYEAR TIRE & RUBBER COMPANY (US) 2006-06-14 EP disclosed