SCHEMBL28514857

SCHEMBL28514857

CCOC(=O)C1Cc2ccccc2C(O)N1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.43
NR1D1 P20393 2/20 0.41
ATM Q13315 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 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
SCHEMBL268492 0.79 MAPT (0.53) KDM4EALDH1A1CYP2D6MAPK1TSHR
SCHEMBL29430156 0.79 MAPT (0.53) KDM4EALDH1A1CYP2D6MAPK1TSHR
SCHEMBL8406870 0.77 CYP2C19 (0.48) KDM4EALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL8049334 0.77 TSHR (0.45) KDM4EALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL8037835 0.77 TSHR (0.45) KDM4EALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL8407013 0.77 CYP2C19 (0.48) KDM4EALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL3319088 0.77 KDM4E (0.57) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL10334541 0.77 GAA (0.59) KDM4EALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL31669038 0.77 KDM4E (0.57) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL3182006 0.77 GAA (0.59) KDM4EALDH1A1CYP1A2CYP2C19CYP2D6

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
CN-108290056-B Short synthetic peptides and uses thereof 曹友平 2021-09-14 CN disclosed
CN-107614512-B Short synthetic peptides for the treatment and/or prevention of autoimmune and inflammatory diseases 台湾基督长老教会马偕医疗财团法人马偕纪念医院 2021-01-08 CN disclosed