SCHEMBL9851188

SCHEMBL9851188

Nc1c(CCO)ccc(O)c1CCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
BACE1 P56817 1/20 0.38
TAAR1 Q96RJ0 1/20 0.33
CA2 P00918 2/20 0.32
TYR P14679 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL754268 0.81 TDP1 (0.30)
SCHEMBL2639710 0.78 KDM4E (0.40) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL5190973 0.78 TYR (0.41) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL29366321 0.77 KDM4E (0.50) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL35629 0.77 KDM4E (0.50) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL24167853 0.76 CA2 (0.36) CA2TYR
SCHEMBL6883545 0.75 TYR (0.50) KDM4EALDH1A1ALOX5GAAMAPT
Ethylene Glycol SCHEMBL949668 0.74 KDM4E (0.48) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL10624720 0.74 TAAR1 (0.45) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL583883 0.74 HSPA5 (0.41) KDM4EALDH1A1ALOX5GAAMAPT

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
EP-0449250-A1 Trisazo compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-10-02 EP disclosed