SCHEMBL819782

SCHEMBL819782

COc1ccc(Br)cc1C12CC3CC(CC(C3)C1)C2.[MgH2]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.50
RARB P10826 3/20 0.50
RARG P13631 3/20 0.50
LMNA P02545 3/20 0.50
HDAC11 Q96DB2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NR1I2 O75469 1/20 0.50
PGR P06401 1/20 0.50
HSPD1 P10809 1/20 0.50
GOT1 P17174 1/20 0.50
GLRA1 P23415 1/20 0.50
BLM P54132 1/20 0.50
HSPE1 P61604 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL29535143 0.98 RARA (0.51) RARARARBRARGLMNAHDAC11
SCHEMBL178217 0.98 RARA (0.51) RARARARBRARGLMNAHDAC11
SCHEMBL28281248 0.97 HDAC11 (0.53) RARARARBRARGLMNAHDAC11
SCHEMBL566075 0.87 HDAC11 (0.62) RARARARBRARGLMNAHDAC11
SCHEMBL3309247 0.86 HDAC11 (0.43) RARARARBRARGLMNAHDAC11
SCHEMBL27650736 0.85 TDP1 (0.42) RARARARBRARGLMNAHDAC11
SCHEMBL1196452 0.85 RARB (0.67) RARARARBRARGLMNAHDAC11
SCHEMBL30076502 0.83 HDAC11 (0.40) RARARARBRARGLMNAHDAC11
SCHEMBL30076513 0.83 HDAC11 (0.40) RARARARBRARGLMNAHDAC11
SCHEMBL9763614 0.82 RARA (0.49) RARARARBRARGLMNAHDAC11

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-1902010-B1 PROCESS FOR THE PREPARATION OF ADAPALENE AND RELATED COMPOUNDS MEDICHEM SA (ES) 2011-11-30 EP claimed