SCHEMBL9853377

SCHEMBL9853377

COc1cc(C)c(C=O)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.43
RARB P10826 3/20 0.43
RARG P13631 3/20 0.43
HDAC11 Q96DB2 2/20 0.42
HDAC2 Q92769 1/20 0.42
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
HSPD1 P10809 1/20 0.42
GOT1 P17174 1/20 0.42
GLRA1 P23415 1/20 0.42
BLM P54132 1/20 0.42
HSPE1 P61604 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL8567401 0.88 ALDH1A1 (0.51) RARARARBRARGHDAC11HDAC2
SCHEMBL8458308 0.84 RARA (0.45) RARARARBRARGHDAC11HDAC2
SCHEMBL9253940 0.84 RARA (0.42) RARARARBRARGHDAC11HDAC2
SCHEMBL12309931 0.84 RARA (0.42) RARARARBRARGHDAC11HDAC2
SCHEMBL12309928 0.84 PRKDC (0.55) RARARARBRARGHDAC11HDAC2
SCHEMBL6475755 0.78 RARA (0.43) RARARARBRARGHDAC11HDAC2
SCHEMBL6477652 0.78 HDAC11 (0.42) RARARARBRARGHDAC11HDAC2
SCHEMBL9320558 0.77 RARA (0.42) RARARARBRARGHDAC11HDAC2
SCHEMBL27957244 0.77 RARA (0.37) RARARARBRARGHDAC11HDAC2
SCHEMBL9320668 0.76 RARA (0.55) RARARARBRARGHDAC11HDAC2

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
EP-0409729-A1 Bi-aromatic thioesters, process for their preparation and their use in human or veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1991-01-23 EP disclosed