SCHEMBL7106941

SCHEMBL7106941

CCCCCCOC(=O)/C(C#N)=C/c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.57
PDCD1 Q15116 1/20 0.55
CD274 Q9NZQ7 1/20 0.55
ALDH1A1 P00352 6/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 3/20 0.52
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.49
MCL1 Q07820 1/20 0.49
LMNA P02545 2/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 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
SCHEMBL28350879 1.00 DNM1 (0.57) DNM1PDCD1CD274ALDH1A1POLB
SCHEMBL7106944 1.00 DNM1 (0.57) DNM1PDCD1CD274ALDH1A1POLB
SCHEMBL7541570 0.95 PDCD1 (0.57) DNM1PDCD1CD274ALDH1A1POLB
SCHEMBL7530507 0.95 PDCD1 (0.57) DNM1PDCD1CD274ALDH1A1POLB
SCHEMBL7530509 0.95 PDCD1 (0.57) DNM1PDCD1CD274ALDH1A1POLB
SCHEMBL7110181 0.90 ALDH1A1 (0.54) DNM1PDCD1CD274ALDH1A1POLB
SCHEMBL21457327 0.89 ALDH1A1 (0.58) DNM1PDCD1CD274ALDH1A1POLB
SCHEMBL21457323 0.89 ALDH1A1 (0.58) DNM1PDCD1CD274ALDH1A1POLB
SCHEMBL19829845 0.88 DNM1 (0.63) DNM1PDCD1CD274ALDH1A1MAPT
SCHEMBL994759 0.88 DNM1 (0.60) DNM1PDCD1CD274ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185537-B1 BENZYLIDENECYANOACETATES AND A METHOD FOR MAKING BENZYLIDENECYANOACETATES LORD CORP (US) 2003-10-01 EP disclosed
EP-1185537-A1 BENZYLIDENECYANOACETATES AND A METHOD FOR MAKING BENZYLIDENECYANOACETATES Lord Corporation (US) 2002-03-13 EP disclosed
WO-2001018009-A2 BENZYLIDENECYANOACETATES AND A METHOD FOR MAKING BENZYLIDENECYANOACETATES LORD CORPORATION (US) 2001-03-15 WO disclosed
US-6180813-B1 COMPOUNDS WHICH ARE LIQUID AT ROOM TEMPERATURE, HAVE LOW VOLATILITY AND ARE ODOR FREE; USEFUL IN FORMULATING ADHESIVES AND COATINGS LORD CORPORATION 2001-01-30 US disclosed