SCHEMBL9259528

SCHEMBL9259528

COc1ccc2c(c1)OC(C(=O)N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)=CO2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CACNA2D1 P54289 2/20 0.42
CACNA1B Q00975 2/20 0.42
CACNB1 Q02641 2/20 0.42
CACNA1C Q13936 2/20 0.42
CACNA1G O43497 1/20 0.42
CPS1 P31327 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9256320 0.97 MGLL (0.45) MGLLSMN1; SMN2ALDH1A1LMNAUSP2
SCHEMBL9263304 0.88 MGLL (0.47) MGLLSMN1; SMN2ALDH1A1CACNA2D1CACNA1B
SCHEMBL9257899 0.86 ALDH1A1 (0.42) MGLLALDH1A1LMNANPSR1CACNA2D1
SCHEMBL9261257 0.85 ALDH1A1 (0.40) MGLLALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL9264047 0.85 MGLL (0.44) MGLLSMN1; SMN2ALDH1A1NPSR1CACNA2D1
SCHEMBL9254614 0.84 MGLL (0.43) MGLLALDH1A1LMNANPSR1CACNA2D1
SCHEMBL9254998 0.83 ALDH1A1 (0.51) MGLLALDH1A1NPSR1CACNA2D1CACNA1B
SCHEMBL9257887 0.83 MGLL (0.41) MGLLALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL9262507 0.82 KMT2A (0.48) MGLLALDH1A1KDM4EMAPTKMT2A
SCHEMBL9262611 0.81 ALDH1A1 (0.39) MGLLALDH1A1NPSR1CACNA2D1CACNA1B

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-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US disclosed