SCHEMBL8527626

SCHEMBL8527626

CCCCCCCCCCCCCCCCCCOCC(O)COCCCCCCCCCCCCCCCC

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.80
HTT P42858 2/20 0.77
LPAR5 Q9H1C0 4/20 0.70
SPHK1 Q9NYA1 1/20 0.63
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
LPAR1 Q92633 7/20 0.50
LPAR3 Q9UBY5 7/20 0.50
LPAR2 Q9HBW0 4/20 0.50
LPAR6 P43657 3/20 0.50
LPAR4 Q99677 3/20 0.50
HSD17B10 Q99714 1/20 0.50
PLA2G2C Q5R387 2/20 0.49
CES2 O00748 1/20 0.48

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
SCHEMBL1834847 1.00 USP2 (0.80) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL2996593 1.00 USP2 (0.80) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL10607854 1.00 USP2 (0.80) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL10566561 1.00 USP2 (0.80) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL10605202 1.00 USP2 (0.80) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL1835536 1.00 USP2 (0.80) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL9117095 1.00 USP2 (0.80) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL251104 1.00 USP2 (0.80) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL2853658 1.00 USP2 (0.80) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL28914358 1.00 USP2 (0.80) USP2HTTLPAR5SPHK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107261148-A Methylphenidate prodrug, its preparation and application 凯姆制药公司 2017-10-20 CN disclosed
CN-103826633-B Methylphenidate prodrugs, methods of making and using the same 凯姆制药公司 2017-05-24 CN disclosed
CN-103826633-A Methylphenidate prodrugs, methods of making and using the same KEMPHARM INC 2014-05-28 CN disclosed
EP-0728737-B1 Quaternary ammonium salt, method for production thereof, and its use within a softener composition KAO CORP (JP) 1998-10-28 EP disclosed
US-5696070-A HAIR, FABRIC RINSES, SOFTENERS KAO CORPORATION (JP) 1997-12-09 US disclosed
EP-0728737-A1 Quaternary ammonium salt, method for production thereof, and softener composition using salt Kao Corporation (JP) 1996-08-28 EP disclosed