SCHEMBL11299101

SCHEMBL11299101

CCCCCCCCCCCCCCCCNc1ccc(/C=C/C(=O)OCC(O)CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
APP P05067 5/20 0.44
KDM4E B2RXH2 1/20 0.43
DUSP3 P51452 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
EGFR P00533 1/20 0.42
DGKA P23743 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
FAAH O00519 2/20 0.40

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
SCHEMBL11299124 1.00 TDP1 (0.46) TDP1APPKDM4EDUSP3MEN1
SCHEMBL11233360 0.89 TDP1 (0.44) TDP1APPLMNAEGFRCA12
SCHEMBL11233355 0.89 TDP1 (0.44) TDP1APPLMNAEGFRCA12
SCHEMBL11232269 0.89 TDP1 (0.47) TDP1APPKDM4ELMNAEGFR
SCHEMBL11232273 0.89 TDP1 (0.47) TDP1APPKDM4ELMNAEGFR
SCHEMBL11229891 0.85 CA12 (0.57) TDP1APPEGFRCA12CA1
SCHEMBL11229892 0.85 CA12 (0.57) TDP1APPEGFRCA12CA1
SCHEMBL11239738 0.81 EGFR (0.48) TDP1APPMEN1KMT2ALMNA
SCHEMBL11239735 0.81 EGFR (0.48) TDP1APPMEN1KMT2ALMNA
SCHEMBL11245563 0.81 EGFR (0.54) APPLMNAEGFR

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
US-4348399-A Antiatherosclerotic and hypolipidemic 4-(monoalkylamino)phenyl alkane, alkene and alkyne carbinols, aldehydes, carboxylic acids and derivatives AMERICAN CYANAMID COMPANY (US) 1982-09-07 US disclosed