SCHEMBL9809209

SCHEMBL9809209

COc1ccc(CCOc2ccc(C3CC3CN(O)C(N)=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.47
HTR2C P28335 1/20 0.45
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
ITGB6 P18564 1/20 0.40
KDM1A O60341 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL9380418 0.89 ALOX5 (0.58) ALOX5HTR2CKDM1AMAOAMAOB
SCHEMBL9380414 0.89 ALOX5 (0.58) ALOX5HTR2CKDM1AMAOAMAOB
SCHEMBL9381954 0.84 ALOX5 (0.53) ALOX5
SCHEMBL9381956 0.84 ALOX5 (0.53) ALOX5
SCHEMBL9387465 0.81 ALOX5 (0.55) ALOX5HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL9387460 0.81 ALOX5 (0.55) ALOX5HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL9381473 0.78 ALOX5 (0.58) ALOX5HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL9385609 0.78 ALOX5 (0.52) ALOX5HTR2CKMT2A
SCHEMBL9385605 0.78 ALOX5 (0.52) ALOX5HTR2CKMT2A
SCHEMBL9381471 0.78 ALOX5 (0.58) ALOX5HTR2CSLC6A2SLC6A4SLC6A3

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-5037853-A Antiinflammatory agents ABBOTT LABORATORIES (US) 1991-08-06 US disclosed