SCHEMBL6696710

SCHEMBL6696710

CCCCCC=C(C#N)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.54
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 3/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
FAAH O00519 2/20 0.47
ALDH1A1 P00352 6/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
PTP4A1 Q93096 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MIF P14174 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43

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
SCHEMBL8053543 0.98 CYP2C9 (0.53) CYP2C9MAPTMEN1KMT2AGAA
SCHEMBL11208867 0.98 CYP2C9 (0.53) CYP2C9MAPTMEN1KMT2AGAA
SCHEMBL8600351 0.98 CYP2C9 (0.53) CYP2C9MAPTMEN1KMT2AGAA
SCHEMBL11256760 0.95 CYP2C9 (0.56) CYP2C9MAPTMEN1KMT2AGAA
SCHEMBL10899312 0.95 CYP2C9 (0.56) CYP2C9MAPTMEN1KMT2AGAA
SCHEMBL7743058 0.89 TP53 (0.44) CYP2C9MAPTMEN1KMT2AGAA
SCHEMBL7743061 0.89 TP53 (0.44) CYP2C9MAPTMEN1KMT2AGAA
SCHEMBL8569025 0.88 CYP2C9 (0.59) CYP2C9MAPTMEN1KMT2AGAA
SCHEMBL20472622 0.87 TSHR (0.47) CYP2C9MAPTMEN1KMT2AGAA
SCHEMBL7743277 0.87 TSHR (0.44) CYP2C9MAPTMEN1KMT2AGAA

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-2004089276-A2 THIAZOLIDINEDIONE COMPOUNDS WITH HYPOGLYCEMIC PROPERTIES CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQ (BR) 2004-10-21 WO disclosed