SCHEMBL4643376

SCHEMBL4643376

CCCCCCCCCCCCCCCCCCCC(C)[O]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.56
PPARD Q03181 1/20 0.56
ZDHHC20 Q5W0Z9 1/20 0.56
ZDHHC2 Q9UIJ5 1/20 0.56
GPR84 Q9NQS5 7/20 0.52
CA1 P00915 2/20 0.52
FFAR1 O14842 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
OPRM1 P35372 1/20 0.50
MAPT P10636 1/20 0.50
ZDHHC7 Q9NXF8 1/20 0.50
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH4 P08319 1/20 0.48
ADH7 P40394 1/20 0.48
CA2 P00918 1/20 0.48
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL50481 1.00
SCHEMBL3620831 1.00 LCK (0.56) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL3610140 1.00 LCK (0.56) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL8422502 1.00
SCHEMBL3127346 1.00 LCK (0.56) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL3882931 1.00 LCK (0.56) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL4641218 1.00 LCK (0.56) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL8074338 1.00
SCHEMBL1882258 1.00 LCK (0.56) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL3622464 1.00 LCK (0.56) LCKPPARDZDHHC20ZDHHC2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443042-B1 HYBRID ONIUM SALT WAKO PURE CHEM IND LTD (JP) 2008-08-13 EP disclosed
US-7101918-B2 Hybrid type onium salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-05 US disclosed
US-20050020710-A1 Hybrid onium salt WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) 2005-01-27 US disclosed
EP-1443042-A1 HYBRID ONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2004-08-04 EP disclosed