SCHEMBL4776401

SCHEMBL4776401

O=C(C=Cc1ccc(O)c(O)c1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
HPGD P15428 3/20 0.63
MEN1 O00255 3/20 0.60
GAA P10253 3/20 0.60
KMT2A Q03164 3/20 0.60
HDAC3 O15379 3/20 0.52
HDAC4 P56524 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
APP P05067 3/20 0.51
MMP1 P03956 8/20 0.50
MMP2 P08253 8/20 0.50
MMP9 P14780 8/20 0.50
POLB P06746 3/20 0.49
LMNA P02545 2/20 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
SCHEMBL4776395 1.00 ALDH1A1 (0.63) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL9658542 0.90 ALDH1A1 (0.60) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL8882028 0.90 ALDH1A1 (0.60) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL9658538 0.90 ALDH1A1 (0.60) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL14290760 0.86 ALDH1A1 (0.57) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL14290754 0.86 ALDH1A1 (0.57) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL4725341 0.85 GAA (0.65) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL4778370 0.85 HPGD (0.59) ALDH1A1HPGDGAAKMT2AHDAC2
SCHEMBL4778371 0.85 HPGD (0.59) ALDH1A1HPGDGAAKMT2AHDAC2
SCHEMBL4725345 0.85 GAA (0.65) ALDH1A1HPGDMEN1GAAKMT2A

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