SCHEMBL17486756

SCHEMBL17486756

CNC(=O)CCc1ccc(O)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.73
OR51E2 Q9H255 1/20 0.73
TAAR1 Q96RJ0 2/20 0.59
TSHR P16473 2/20 0.59
MAPK1 P28482 1/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C8 P10632 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2B6 P20813 2/20 0.59
CYP2C19 P33261 2/20 0.59
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
LMNA P02545 1/20 0.58
GLA P06280 1/20 0.58
GAA P10253 2/20 0.56
ALDH1A1 P00352 1/20 0.56
NFKB1 P19838 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PTPN1 P18031 1/20 0.56

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
SCHEMBL15103343 0.88 ALOX5 (0.73) ALOX5OR51E2TAAR1TSHRMAPK1
SCHEMBL17486763 0.88 KMT2A (0.64) GAAALDH1A1
SCHEMBL1915903 0.85 MEN1 (0.70) ALOX5OR51E2MTNR1AMTNR1B
Tetrahydrocurcumin SCHEMBL29372158 0.84 ALOX5 (1.00) ALOX5OR51E2TAAR1TSHRMAPK1
Tetrahydrocurcumin SCHEMBL29370299 0.84 ALOX5 (1.00) ALOX5OR51E2TAAR1TSHRMAPK1
Dihydroferulic Acid Methyl Ester SCHEMBL490876 0.84 ALOX5 (0.77) ALOX5OR51E2TAAR1TSHRMAPK1
Tetrahydrocurcumin SCHEMBL284877 0.84 ALOX5 (1.00) ALOX5OR51E2TAAR1TSHRMAPK1
SCHEMBL14298826 0.84 GAA (0.69) ALOX5OR51E2TAAR1TSHRMAPK1
SCHEMBL28355932 0.84 ALOX5 (0.88) ALOX5OR51E2TAAR1TSHRMAPK1
SCHEMBL17938791 0.83 ALOX5 (0.66) ALOX5OR51E2TSHRCYP1A2CYP3A4

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-20160032047-A1 Peg-based adhesive phenylic derivatives and methods of synthesis and use DSM IP ASSETS B.V. (NL) 2016-02-04 US disclosed