SCHEMBL7948755

SCHEMBL7948755

O=C(O)c1ccc(-c2ccc(-c3cc4cc(Cl)cc([N+](=O)[O-])c4o3)[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
CASP6 P55212 1/20 0.36
RARA P10276 3/20 0.36
RARB P10826 3/20 0.36
RARG P13631 3/20 0.36
GPR35 Q9HC97 1/20 0.36
ERN1 O75460 1/20 0.36
SIRT5 Q9NXA8 1/20 0.35
MYC P01106 2/20 0.35
MAX P61244 2/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
GSTP1 P09211 1/20 0.34
GSTM2 P28161 1/20 0.34
POLB P06746 1/20 0.34
CHEK2 O96017 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34

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
SCHEMBL7622996 0.84 CSNK2A2 (0.46) MAOARXRARXRBRARARARB
SCHEMBL7628727 0.82 RXRA (0.40) RXRARXRBRARARARBRARG
SCHEMBL7624774 0.82 RARA (0.43) RXRARXRBRARARARBRARG
SCHEMBL7624545 0.81 PTGER1 (0.45) RXRARXRBRARARARBRARG
SCHEMBL7628029 0.81 RARA (0.45) RXRARXRBRARARARBRARG
SCHEMBL7622666 0.79 RARA (0.38) RXRARXRBRARARARBRARG
SCHEMBL7625627 0.78 PTGER1 (0.41) RXRARXRBRARARARBRARG
SCHEMBL7625435 0.78 RARA (0.44) RARARARBRARGCSNK2A2CSNK2B
SCHEMBL7618483 0.76 KDM4E (0.46) RXRARXRBRARARARBRARG
SCHEMBL7622962 0.76 RARA (0.42) RXRARXRBRARARARBRARG

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