SCHEMBL9254838

SCHEMBL9254838

CCCCCO[CH]C(C)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
SPHK1 Q9NYA1 2/20 0.39
HTT P42858 2/20 0.38
OPRM1 P35372 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.35
TRPA1 O75762 1/20 0.35
DDAH1 O94760 1/20 0.35
GAPDH P04406 1/20 0.35
LPAR1 Q92633 2/20 0.34
LPAR3 Q9UBY5 2/20 0.34
LPAR2 Q9HBW0 1/20 0.34

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
SCHEMBL7757009 0.98 USP2 (0.42) USP2SPHK1HTTCA1CA2
SCHEMBL9316776 0.98 USP2 (0.42) USP2SPHK1HTTCA1CA2
SCHEMBL6709623 0.98 USP2 (0.42) USP2SPHK1HTTCA1CA2
SCHEMBL12610886 0.93
SCHEMBL4500260 0.81 CA1 (0.38) SPHK1OPRM1CA1CA2CA9
SCHEMBL4488952 0.79 CA1 (0.40) USP2SPHK1HTTCA1CA2
SCHEMBL28023911 0.78 DNM1 (0.39) SPHK1OPRM1CA1CA2CA9
SCHEMBL7853984 0.77 USP2 (0.48) USP2HTTMAPTMEN1THRB
SCHEMBL2594746 0.76 SMPD1 (0.42) SPHK1HTTOPRM1CA1MAPT
SCHEMBL28023405 0.76 CA1 (0.38) USP2SPHK1HTTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282862-B1 NITROGEN CONTAINING, WATER SOLUBLE COMPOUNDS BAYER AG (DE) 1991-12-18 EP claimed
US-4065576-A OLEIC ACID AND SALTS WEYERHAEUSER COMPANY (US) 1977-12-27 US claimed
EP-0469891-B1 Process for the production of improved polyaminopolyamide epichlorohydrin resins HERCULES INC (US) 1995-05-03 EP disclosed
US-5171795-A Adding a halogen-free mineral acid; lower content of polymer bound organohalogen HERCULES INCORPORATED (US) 1992-12-15 US disclosed
EP-0469891-A1 Process for the production of improved polyaminopolyamide epichlorohydrin resins HERCULES INCORPORATED (US) 1992-02-05 EP disclosed
US-4857586-A HALOGEN-FREE EPIHALOHYDRIN/POLYAMINE POLYMERS NEUETRALIZED BY A BASE AND REACTED WITH A HALOGEN-FREE MINERAL ACID; PAPER AND WOOL FINISHING; AFTERTREATMENT FOR REACTIVE- AND DIRECT-DYED CELLULOSE BAYER AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
US-4857586-A HALOGEN-FREE EPIHALOHYDRIN/POLYAMINE POLYMERS NEUETRALIZED BY A BASE AND REACTED WITH A HALOGEN-FREE MINERAL ACID; PAPER AND WOOL FINISHING; AFTERTREATMENT FOR REACTIVE- AND DIRECT-DYED CELLULOSE BAYER AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
US-4065576-A OLEIC ACID AND SALTS WEYERHAEUSER COMPANY (US) 1977-12-27 US disclosed