SCHEMBL9066971

SCHEMBL9066971

[CH2]c1cc(CCO)cc(CCO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX5 P09917 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
BACE1 P56817 1/20 0.41
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
TSHR P16473 1/20 0.32
CYP4F2 P78329 3/20 0.31
CYP4A11 Q02928 3/20 0.31

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
SCHEMBL63871 0.85 TDP1 (0.53) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL26665146 0.77 ACHE (0.48) KDM4EMAPTTSHR
SCHEMBL577119 0.75 TDP1 (0.52) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL24197605 0.72 TDP1 (0.42) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL577627 0.72 CA2 (0.59) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL21727726 0.72 CA2 (0.46) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL16962400 0.72 CNR1 (0.38) ALDH1A1CA2
SCHEMBL6418650 0.72 PGK1 (0.44) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL298669 0.70 KEAP1 (0.52) CA2CA1
Sulfuric Acid SCHEMBL28824536 0.70 CA2 (0.45) TDP1KDM4EALDH1A1ALOX5GAA

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-0735064-A1 Process for the preparation of branched polymers XEROX CORPORATION (US) 1996-10-02 EP disclosed