SCHEMBL7942409

SCHEMBL7942409

CC(C)c1cc(Cl)c2oc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 8/20 0.42
RARB P10826 7/20 0.39
RARG P13631 7/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
HDAC6 Q9UBN7 2/20 0.37
EIF4A3 P38919 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
GPR35 Q9HC97 1/20 0.36
MLKL Q8NB16 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7622962 0.85 RARA (0.42) RARARARBRARGRXRARXRB
SCHEMBL7622996 0.85 CSNK2A2 (0.46) RARARARBRARGRXRARXRB
SCHEMBL7625435 0.85 RARA (0.44) RARARARBRARGESR1ESR2
SCHEMBL7628029 0.83 RARA (0.45) RARARARBRARGRXRARXRB
SCHEMBL7620448 0.83 RARA (0.39) RARARARBRARGESR1ESR2
SCHEMBL7626515 0.83 RXRA (0.44) RARARARBRARGRXRAKDM4E
SCHEMBL7621362 0.83 RXRA (0.44) RARARARBRARGRXRARXRB
SCHEMBL7625464 0.81 RARA (0.44) RARARARBRARGRXRARXRB
SCHEMBL7617704 0.80 RARA (0.46) RARARARBRARGRXRARXRB
SCHEMBL7628810 0.79 RARA (0.54) RARARARBRARGRXRARXRB

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-6258811-B1 ADMINISTERING RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2001-07-10 US disclosed