SCHEMBL7683142

SCHEMBL7683142

CCOC(=O)/C=C(C)/C=C/c1ccc2cc(O)c(C34CC5CC(CC(C5)C3)C4)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
NR2E1 Q9Y466 1/20 0.45
RARB P10826 6/20 0.43
TTR P02766 1/20 0.42
DPP4 P27487 1/20 0.42
RARA P10276 3/20 0.42
RARG P13631 3/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
PTPN11 Q06124 1/20 0.41

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
SCHEMBL7683146 1.00 MEN1 (0.45) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7683152 1.00 MEN1 (0.45) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7689601 0.89 HDAC11 (0.46) MEN1KMT2ARARBTTRDPP4
SCHEMBL7689603 0.89 HDAC11 (0.46) MEN1KMT2ARARBTTRDPP4
SCHEMBL7689599 0.89 HDAC11 (0.46) MEN1KMT2ARARBTTRDPP4
SCHEMBL7683191 0.86 RARB (0.53) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7683200 0.86 RARB (0.53) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7683195 0.86 RARB (0.53) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7683526 0.83 HDAC11 (0.39) MEN1KMT2ARARBTTRDPP4
SCHEMBL7683532 0.82 RARA (0.39) MEN1KMT2ARARBRARARARG

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
US-RE37947-E1 Aromatic polyenic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2002-12-31 US disclosed