SCHEMBL7105891

SCHEMBL7105891

N#CC(=Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MAPT P10636 4/20 0.58
KDM4E B2RXH2 3/20 0.58
GAA P10253 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
PLIN1 O60240 1/20 0.57
LMNA P02545 1/20 0.57
PLIN5 Q00G26 1/20 0.57
ABHD5 Q8WTS1 1/20 0.57
MCL1 Q07820 1/20 0.55
HPGD P15428 2/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAOB P27338 1/20 0.52
PDCD1 Q15116 1/20 0.51

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
SCHEMBL18292365 0.90 KDM4E (0.54) ALDH1A1MAPTKDM4EGAANPC1
SCHEMBL23941244 0.86 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EGAANPC1
SCHEMBL2708594 0.85 DNM1 (0.57) ALDH1A1MAPTKDM4EGAAPLIN1
SCHEMBL7545850 0.84 MAOB (0.51) ALDH1A1MAPTKDM4EGAANPC1
SCHEMBL988238 0.83 MAPT (0.71) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL988236 0.83 MAPT (0.71) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL278655 0.83 MAPT (0.71) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL30289962 0.82 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EGAAPLIN1
SCHEMBL23835984 0.81 MAOB (0.48) ALDH1A1MAPTKDM4EGAANPC1
SCHEMBL21457327 0.81 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ENPC1RAB9A

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