SCHEMBL9285296

SCHEMBL9285296

CCCCCOCC(C#N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
PLA2G2C Q5R387 7/20 0.43
HTT P42858 2/20 0.42
CES2 O00748 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 2/20 0.40
SPHK1 Q9NYA1 1/20 0.39
TLR2 O60603 1/20 0.38

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
SCHEMBL9119420 0.98 USP2 (0.46) USP2PLA2G2CHTTCES2CYP1A2
SCHEMBL23375216 0.83 MAPT (0.46) USP2PLA2G2CHTTCES2MEN1
SCHEMBL9118810 0.83 USP2 (0.45) USP2PLA2G2CHTTCES2LPAR5
SCHEMBL23375212 0.83 MAPT (0.46) USP2PLA2G2CHTTCES2MEN1
SCHEMBL9117608 0.82 USP2 (0.44) USP2PLA2G2CHTTCES2CYP1A2
SCHEMBL22645733 0.80 MEN1 (0.32) MEN1KMT2A
SCHEMBL5435714 0.76 GPR84 (0.50) MAPT
SCHEMBL1890854 0.74 GPR84 (0.53) MAPT
SCHEMBL8629737 0.74 GPR84 (0.53) MAPT
SCHEMBL11844397 0.74 USP2 (0.48) USP2PLA2G2CHTTCES2CYP1A2

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
WO-1995026371-A1 INTERMEDIATES FOR THE PREPARATION OF POLY(CYANOACRYLATES) AND APPLICATIONS OF THE POLY(CYANOACRYLATES) SO PREPARED PATRIQUE LIMITED (IE) 1995-10-05 WO disclosed