SCHEMBL9008052

SCHEMBL9008052

Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
PPARG P37231 16/20 0.52
PPARA Q07869 14/20 0.52
HPGD P15428 1/20 0.50
PPARD Q03181 5/20 0.49
FFAR1 O14842 1/20 0.49
HRH3 Q9Y5N1 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
SCHEMBL7879558 0.83 KDM4E (0.56) KDM4EPPARGPPARAHPGDPPARD
SCHEMBL4034559 0.82 KDM4E (0.73) KDM4EPPARGPPARAHPGDPPARD
SCHEMBL9520604 0.80 KDM4E (0.53) KDM4EPPARGPPARAHPGDPPARD
SCHEMBL14373654 0.80 KDM4E (0.59) KDM4EPPARGPPARAHPGDPPARD
SCHEMBL4031089 0.79 KDM4E (0.65) KDM4EPPARGPPARAHPGDPPARD
SCHEMBL13960286 0.77 KDM4E (0.55) KDM4EPPARGPPARAPPARDFFAR1
SCHEMBL5856050 0.77 KDM4E (0.62) KDM4EPPARGPPARAHPGDPPARD
SCHEMBL9128417 0.76 FFAR1 (0.67) KDM4EPPARGPPARAHPGDFFAR1
SCHEMBL5795341 0.76 KDM4E (0.54) KDM4EPPARGPPARAHPGDPPARD
SCHEMBL13721668 0.76 KDM4E (0.60) KDM4EPPARGPPARAHPGDPPARD

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-5512689-A TREATING A STARTING KETONE WITH A BORANE REDUCING AGENT IN THE PRESENCE OF A CHIRAL OXAZABOROLIDINE CATLAYST, PRODUCT FREE OF ENANTIMERS PFIZER INC. (US) 1996-04-30 US disclosed