SCHEMBL9059477

SCHEMBL9059477

NC(=O)N(O)C1C=C(c2cccc(OCCOc3ccccc3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.40
PARP10 Q53GL7 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PPARG P37231 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL9059691 0.89 KCNH2 (0.46)
SCHEMBL27532209 0.87 ALOX5 (0.44) FFAR4
SCHEMBL8707063 0.87 ALOX5 (0.44) FFAR4
SCHEMBL9060909 0.79 ALOX5 (0.49) PARP10
SCHEMBL8706620 0.79 ALOX5 (0.43) PARP10PPARG
SCHEMBL27469135 0.79 ALOX5 (0.43) PARP10PPARG
SCHEMBL993764 0.79 ALOX5 (0.55) PARP10
SCHEMBL9060091 0.78 MAOB (0.46) PARP10FFAR1
SCHEMBL7969849 0.68 LMNA (0.40)
SCHEMBL9059926 0.67 NCOA1 (0.45) HRH3FFAR1FFAR4HDAC6HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996016054-A1 CYCLOALKENYL-N-HYDROXYUREAS PFIZER PHARMACEUTICALS INC. (JP) 1996-05-30 WO claimed
WO-1996016054-A1 CYCLOALKENYL-N-HYDROXYUREAS PFIZER PHARMACEUTICALS INC. (JP) 1996-05-30 WO disclosed