SCHEMBL4778370

SCHEMBL4778370

COc1ccc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
ALDH1A1 P00352 1/20 0.59
BCHE P06276 1/20 0.55
TOP2A P11388 3/20 0.54
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
APP P05067 1/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.52
CNR2 P34972 1/20 0.52
BACE1 P56817 3/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
KDM4E B2RXH2 1/20 0.51
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49

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
SCHEMBL4778371 1.00 HPGD (0.59) HPGDALDH1A1BCHETOP2AGAA
SCHEMBL4725345 0.91 GAA (0.65) HPGDALDH1A1TOP2AGAAKMT2A
SCHEMBL4725341 0.91 GAA (0.65) HPGDALDH1A1TOP2AGAAKMT2A
SCHEMBL4776401 0.85 ALDH1A1 (0.63) HPGDALDH1A1GAAKMT2AHDAC2
SCHEMBL4776395 0.85 ALDH1A1 (0.63) HPGDALDH1A1GAAKMT2AHDAC2
SCHEMBL9658538 0.83 ALDH1A1 (0.60) HPGDALDH1A1GAAKMT2AHDAC2
SCHEMBL9658542 0.83 ALDH1A1 (0.60) HPGDALDH1A1GAAKMT2AHDAC2
SCHEMBL8882028 0.83 ALDH1A1 (0.60) HPGDALDH1A1GAAKMT2AHDAC2
SCHEMBL14290754 0.80 ALDH1A1 (0.57) HPGDALDH1A1TOP2AGAAKMT2A
SCHEMBL14290760 0.78 ALDH1A1 (0.57) HPGDALDH1A1TOP2AGAAKMT2A

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