SCHEMBL28039704

SCHEMBL28039704

Nc1ccccc1Oc1c(Cl)cccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2A6 P11509 1/20 0.46
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
TSHR P16473 1/20 0.39
GAA P10253 2/20 0.38
DPP4 P27487 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
DHPS P49366 1/20 0.37
RCE1 Q9Y256 1/20 0.37
ADRA2B P18089 1/20 0.36
PTGS1 P23219 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL560390 0.85 KDM4E (0.52) KDM4EMAPTCRHBPCRHR2ALDH1A1
SCHEMBL11096653 0.84 KDM4E (0.59) KDM4EMAPTCRHBPCRHR2ALDH1A1
SCHEMBL8426532 0.81 KDM4E (0.55) KDM4EMAPTCRHBPCRHR2ALDH1A1
SCHEMBL28039703 0.81 KDM4E (0.56) KDM4EMAPTCRHBPCRHR2ALDH1A1
SCHEMBL28039455 0.81 KDM4E (0.47) KDM4EMAPTCRHBPCRHR2ALDH1A1
SCHEMBL5072276 0.77 NCOA1 (0.61) KDM4EMAPTCRHBPCRHR2ALDH1A1
SCHEMBL28039707 0.73 NCOA1 (0.53) KDM4EALDH1A1HSD17B10CYP2A6NCOA1
SCHEMBL25135214 0.73 ALDH1A1 (0.52) KDM4EMAPTCRHBPCRHR2ALDH1A1
SCHEMBL6743041 0.73 ALDH1A1 (0.44) KDM4EMAPTCRHBPCRHR2ALDH1A1
SCHEMBL9266509 0.73 TSHR (0.54) KDM4EMAPTCRHBPCRHR2ALDH1A1

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
CN-105001029-A Method for synthesizing photocatalysis diaryl ether derivative UNIV CHANGZHOU 2015-10-28 CN disclosed