SCHEMBL9670977

SCHEMBL9670977

CCCCCCCCCCCCCCCCOCC(C#N)CNC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
PLA2G2C Q5R387 2/20 0.39
SPHK1 Q9NYA1 1/20 0.38
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37
PRKCB P05771 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCI P41743 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCZ Q05513 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKD1 Q15139 1/20 0.37
TLR2 O60603 2/20 0.37

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
SCHEMBL28943099 0.81 USP2 (0.46) USP2HTTMEN1THRBKMT2A
SCHEMBL10655259 0.77 USP2 (0.42) USP2HTTMEN1THRBKMT2A
SCHEMBL10788227 0.74 USP2 (0.65) USP2HTTMEN1THRBKMT2A
SCHEMBL25872743 0.74 TLR2 (0.60) USP2HTTTLR2LPAR1LPAR3
SCHEMBL9516427 0.74 LPAR1 (0.58) USP2HTTPLA2G2CSPHK1PRKD3
SCHEMBL8595022 0.74 USP2 (0.65) USP2HTTMEN1THRBKMT2A
SCHEMBL25872677 0.74 TLR2 (0.60) USP2HTTTLR2LPAR1LPAR3
SCHEMBL19264514 0.74 TLR2 (0.60) USP2HTTTLR2LPAR1LPAR3
SCHEMBL9127025 0.74 USP2 (0.65) USP2HTTMEN1THRBKMT2A
SCHEMBL15267483 0.74 TLR2 (0.60) USP2HTTTLR2LPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321296-B1 LIPID DERIVATIVES THEIR PREPARATION AND USE SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-11-11 EP disclosed