SCHEMBL14290754

SCHEMBL14290754

O=C(/C=C/c1ccc(CO)c(O)c1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
HPGD P15428 2/20 0.57
HDAC6 Q9UBN7 8/20 0.51
HDAC3 O15379 7/20 0.51
HDAC1 Q13547 7/20 0.51
HDAC2 Q92769 6/20 0.51
HDAC8 Q9BY41 6/20 0.51
HDAC5 Q9UQL6 5/20 0.51
HDAC4 P56524 5/20 0.49
HDAC10 Q969S8 3/20 0.48
HDAC7 Q8WUI4 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL14290760 0.91 ALDH1A1 (0.57) ALDH1A1HPGDHDAC6HDAC3HDAC1
SCHEMBL4776395 0.86 ALDH1A1 (0.63) ALDH1A1HPGDHDAC6HDAC3HDAC1
SCHEMBL4776401 0.86 ALDH1A1 (0.63) ALDH1A1HPGDHDAC6HDAC3HDAC1
SCHEMBL8882028 0.84 ALDH1A1 (0.60) ALDH1A1HPGDHDAC6HDAC3HDAC1
SCHEMBL9658538 0.84 ALDH1A1 (0.60) ALDH1A1HPGDHDAC6HDAC3HDAC1
SCHEMBL9658542 0.84 ALDH1A1 (0.60) ALDH1A1HPGDHDAC6HDAC3HDAC1
SCHEMBL14291349 0.83 ALDH1A1 (0.42) ALDH1A1HPGDHDAC6HDAC3HDAC1
SCHEMBL4778371 0.80 HPGD (0.59) ALDH1A1HPGDHDAC2HDAC11KMT2A
SCHEMBL4778370 0.80 HPGD (0.59) ALDH1A1HPGDHDAC2HDAC11KMT2A
SCHEMBL4725341 0.78 GAA (0.65) ALDH1A1HPGDHDAC6HDAC3HDAC1

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