SCHEMBL4725341

SCHEMBL4725341

COc1cc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
KDM1A O60341 5/20 0.57
CYP2D6 P10635 3/20 0.57
CYP2C9 P11712 2/20 0.57
TSHR P16473 2/20 0.57
HSD17B10 Q99714 2/20 0.57
HDAC3 O15379 2/20 0.57
TYR P14679 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
CYP1A2 P05177 2/20 0.57
ALOX5 P09917 2/20 0.57
NFKB1 P19838 2/20 0.57
HSD11B1 P28845 2/20 0.57
STAT3 P40763 2/20 0.57
NFKB2 Q00653 2/20 0.57

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
SCHEMBL4725345 1.00 GAA (0.65) GAAKMT2AALDH1A1HPGDKDM1A
SCHEMBL4778371 0.91 HPGD (0.59) GAAKMT2AALDH1A1HPGDHDAC2
SCHEMBL4778370 0.91 HPGD (0.59) GAAKMT2AALDH1A1HPGDHDAC2
SCHEMBL4776401 0.85 ALDH1A1 (0.63) GAAKMT2AALDH1A1HPGDCYP2C9
SCHEMBL4776395 0.85 ALDH1A1 (0.63) GAAKMT2AALDH1A1HPGDCYP2C9
SCHEMBL9658538 0.81 ALDH1A1 (0.60) GAAKMT2AALDH1A1HPGDTSHR
SCHEMBL9658542 0.81 ALDH1A1 (0.60) GAAKMT2AALDH1A1HPGDTSHR
SCHEMBL8882028 0.81 ALDH1A1 (0.60) GAAKMT2AALDH1A1HPGDTSHR
SCHEMBL14290760 0.80 ALDH1A1 (0.57) GAAKMT2AALDH1A1HPGDHDAC3
SCHEMBL8781802 0.78 ALDH1A1 (0.55) GAAKMT2AALDH1A1HPGDHDAC3

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
WO-2008018683-A1 HYDROXYCINNAMIC ACID DERIVATIVES AND PREPARATION METHOD THEREOF AND COSMETIC COMPOSITION CONTAINING IT AMOREPACIFIC CORPORATION (KR) 2008-02-14 WO disclosed