SCHEMBL8502015

SCHEMBL8502015

CC(=O)N(c1ccc(O)c(O)c1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
RECQL P46063 5/20 0.46
ALDH1A1 P00352 5/20 0.46
ALOX15 P16050 5/20 0.46
HIF1A Q16665 4/20 0.46
HSD17B10 Q99714 4/20 0.46
MEN1 O00255 3/20 0.46
HPGD P15428 3/20 0.46
MAPK1 P28482 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 3/20 0.46
USP2 O75604 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
PKM P14618 2/20 0.46
NFKB1 P19838 2/20 0.46
BLM P54132 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RGS12 O14924 1/20 0.46
THRB P10828 1/20 0.46
APEX1 P27695 1/20 0.46

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
SCHEMBL10925837 0.79 ALDH1A1 (0.42) KDM4EALDH1A1MEN1KMT2APKM
SCHEMBL11800568 0.76 KDM4E (0.52) KDM4ERECQLALDH1A1ALOX15HIF1A
SCHEMBL27911321 0.75 CA12 (0.36) KDM4ERECQLALDH1A1ALOX15HIF1A
SCHEMBL2071627 0.75 TRPM8 (0.49) KDM4EALDH1A1TDP1PKMSMN1; SMN2
SCHEMBL11793624 0.75 SMN1; SMN2 (0.55) KDM4ERECQLALDH1A1ALOX15HIF1A
SCHEMBL849513 0.74 CHRNA1 (0.40) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL6340899 0.74 MCL1 (0.43) KDM4ERECQLALDH1A1ALOX15HIF1A
SCHEMBL11925050 0.73 SMN1; SMN2 (0.43) KDM4EALDH1A1MEN1MAPK1KMT2A
SCHEMBL13915059 0.73 S100A4 (0.45) ALDH1A1MEN1HPGDKMT2APKM
SCHEMBL9674286 0.73 KDM4E (0.48) KDM4ERECQLALDH1A1ALOX15HIF1A

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-0414730-B1 Chemical Compounds and pharmaceutical compositions capable of releasing a drug MILLS RANDELL L (US) 1999-12-15 EP disclosed