SCHEMBL7683532

SCHEMBL7683532

CCOC(=O)C=C(C)C=Cc1ccc2cc(OCOC(C)OC)c(C34CC5CC(CC(C5)C3)C4)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.39
IKBKB O14920 2/20 0.39
HDAC11 Q96DB2 4/20 0.37
HDAC2 Q92769 1/20 0.37
TOP2A P11388 4/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
FDPS P14324 1/20 0.34
RARB P10826 2/20 0.34
RARG P13631 2/20 0.34
EPHX2 P34913 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAOB P27338 1/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
PGR P06401 1/20 0.33
HSPD1 P10809 1/20 0.33

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
SCHEMBL7683524 1.00 RARA (0.39) RARAIKBKBHDAC11HDAC2TOP2A
SCHEMBL7688251 0.91 RARA (0.43) RARAIKBKBHDAC11HDAC2TOP2A
SCHEMBL7688255 0.91 RARA (0.43) RARAIKBKBHDAC11HDAC2TOP2A
SCHEMBL7689599 0.87 HDAC11 (0.46) RARAIKBKBHDAC11HDAC2TOP2A
SCHEMBL7689603 0.87 HDAC11 (0.46) RARAIKBKBHDAC11HDAC2TOP2A
SCHEMBL7689601 0.87 HDAC11 (0.46) RARAIKBKBHDAC11HDAC2TOP2A
SCHEMBL7683526 0.86 HDAC11 (0.39) RARAIKBKBHDAC11HDAC2TOP2A
SCHEMBL7683146 0.82 MEN1 (0.45) RARAHDAC11HDAC2HDAC7HDAC8
SCHEMBL7683142 0.82 MEN1 (0.45) RARAHDAC11HDAC2HDAC7HDAC8
SCHEMBL7683152 0.82 MEN1 (0.45) RARAHDAC11HDAC2HDAC7HDAC8

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