SCHEMBL5313876

SCHEMBL5313876

COc1cc(OC)c(OC)c(OC)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
PRKDC P78527 1/20 0.44
ACHE P22303 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CA9 Q16790 1/20 0.41
CYP19A1 P11511 2/20 0.41
NQO2 P16083 2/20 0.41
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL9050175 0.84 GABRA1 (0.39) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL677316 0.83 CYP19A1 (0.46) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL2910464 0.82 KDM4E (0.42) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL7048608 0.80 PTGS2 (0.47) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL29818735 0.79 ERN1 (0.46) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL2218270 0.78 PTGS2 (0.43) ACHEGABRA1GABRB2CYP3A4MAPT
SCHEMBL27975315 0.77 ERN1 (0.41) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL11464793 0.77 PKM (0.58) ERN1ALDH1A1KDM4ETDP1MAPT
SCHEMBL2911255 0.76 ALDH1A1 (0.58) ERN1ALDH1A1KDM4ETDP1PRKDC
SCHEMBL5657695 0.76 KDM4E (0.61) ERN1ALDH1A1KDM4EMAPTLMNA

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
CN-114173750-A Improving the stability of agents for treating keratin materials 汉高股份有限及两合公司 2022-03-11 CN disclosed
WO-2007053915-A2 NARINGENIN DERIVATIVES WITH SELECTIVITY ON ERS UNIVERSITEIT GENT (BE) 2007-05-18 WO disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 EP disclosed
US-4404277-A CYANINE DYES, SILVER HALIDE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-09-13 US disclosed