SCHEMBL9079115

SCHEMBL9079115

COC(=O)c1ccc(/C=C(\C)c2ccc(O[Si](C)(C)C(C)(C)C)c(C34CC5CC(CC(C5)C3)C4)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.62
RARG P13631 13/20 0.62
RARA P10276 13/20 0.62
HDAC11 Q96DB2 3/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
IKBKB O14920 1/20 0.39
LMNA P02545 2/20 0.39
BLM P54132 2/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
HSPD1 P10809 1/20 0.39
GOT1 P17174 1/20 0.39
GLRA1 P23415 1/20 0.39
HSPE1 P61604 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9079120 1.00 RARB (0.62) RARBRARGRARAHDAC11HDAC2
SCHEMBL8765806 0.91 RARG (0.73) RARBRARGRARAIKBKBLMNA
SCHEMBL8765815 0.91 RARG (0.73) RARBRARGRARAIKBKBLMNA
SCHEMBL9079300 0.86 RARB (0.82) RARBRARGRARAHDAC11HDAC2
SCHEMBL9079305 0.86 RARB (0.82) RARBRARGRARAHDAC11HDAC2
SCHEMBL7687188 0.82 RARA (0.47) RARBRARGRARAHDAC11HDAC2
SCHEMBL8461452 0.80 RARA (0.45) RARBRARGRARAHDAC11HDAC2
SCHEMBL9130746 0.80 RARA (0.45) RARBRARGRARAHDAC11HDAC2
SCHEMBL8458638 0.80 RARG (0.55) RARBRARGRARAIKBKBLMNA
SCHEMBL7077371 0.79 RARB (0.61) RARBRARGRARAHDAC11HDAC2

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-5547983-A Aromatic and polycyclic compounds and their use in human or veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1996-08-20 US disclosed