SCHEMBL6672472

SCHEMBL6672472

CC(=CC=Cc1ccccc1)C(=O)OC(C)(C)C.CCCCC=C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
GRIK1 P39086 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
AKR1C3 P42330 1/20 0.35

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
SCHEMBL2363128 0.84 LMNA (0.46) KDM4EPOLBALDH1A1LMNATDP1
SCHEMBL1173073 0.81 LMNA (0.40) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL28077001 0.79 KDM4E (0.50) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL5661958 0.76 KDM4E (0.57) KDM4EMEN1KMT2APOLBALDH1A1
Acrylonitrile SCHEMBL22207118 0.75 MCL1 (0.43) KDM4EKMT2APOLBALDH1A1LMNA
SCHEMBL9799758 0.75 EP300 (0.36) ALDH1A1GRIK1CYP2D6CYP2C19
SCHEMBL9799762 0.75 EP300 (0.36) ALDH1A1GRIK1CYP2D6CYP2C19
SCHEMBL374959 0.74 KDM4E (0.68) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL11419752 0.74 TDP1 (0.40) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL9289108 0.73 KDM4E (0.63) KDM4EMEN1KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464119-A2 BIOCOMPATIBLE MEMBRANES OF BLOCK COPOLYMERS AND FUEL CELLS PRODUCED THEREWITH Powerzyme, Inc. (US) 2004-10-06 EP disclosed
WO-2003050897-A2 BIOCOMPATIBLE MEMBRANES OF BLOCK COPOLYMERS AND FUEL CELLS PRODUCED THEREWITH POWERZYME, INC. (US) 2003-06-19 WO disclosed