SCHEMBL4601952

SCHEMBL4601952

COCCOOC(=O)CCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 3/20 0.49
ALOX5 P09917 2/20 0.48
KEAP1 Q14145 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 1/20 0.45
FFAR1 O14842 2/20 0.44
APP P05067 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL27516564 0.85 TDP1 (0.82) TDP1KDM4ELMNAALDH1A1ALOX5
SCHEMBL26698258 0.83 TSHR (0.50) TDP1KDM4ELMNAALDH1A1ALOX5
SCHEMBL27839288 0.81 TDP1 (0.63) TDP1KDM4ELMNAALDH1A1ALOX5
SCHEMBL13335015 0.81 TDP1 (0.74) TDP1KDM4ELMNAALDH1A1ALOX5
SCHEMBL29086538 0.80 TDP1 (0.73) TDP1ALDH1A1KEAP1KMT2ARAB9A
SCHEMBL28638406 0.80 TDP1 (0.54) TDP1LMNAALDH1A1TSHRFFAR1
SCHEMBL8494006 0.80 TDP1 (0.61) TDP1ALDH1A1KEAP1KMT2AMAPT
Methyl 3-Phenylpropanoate SCHEMBL168711 0.77 TDP1 (0.68) TDP1KDM4ELMNAALDH1A1KEAP1
SCHEMBL12301101 0.76 TDP1 (0.72) TDP1KDM4ELMNAALDH1A1ALOX5
SCHEMBL24241943 0.76 ALOX5 (0.59) TDP1KDM4ELMNAALDH1A1ALOX5

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-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed