SCHEMBL3457858

SCHEMBL3457858

Cc1ccccc1COc1ccc(CBr)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.58
S1PR1 P21453 1/20 0.51
S1PR5 Q9H228 1/20 0.51
KMT2A Q03164 1/20 0.50
FFAR1 O14842 4/20 0.48
FFAR4 Q5NUL3 1/20 0.48
ACHE P22303 1/20 0.47
KDM4E B2RXH2 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
SLC26A4 O43511 1/20 0.43

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
SCHEMBL9464001 0.84 MAOB (0.49) MAOBFFAR1FFAR4
SCHEMBL28624803 0.82 MAOB (0.61) MAOBS1PR1S1PR5KMT2AFFAR1
SCHEMBL10452980 0.82 MAOB (0.65) MAOBS1PR1S1PR5KMT2AFFAR1
SCHEMBL8264422 0.81 MAOB (0.64) MAOBS1PR1S1PR5KMT2AFFAR1
SCHEMBL10865258 0.80 MAOB (0.68) MAOBS1PR1S1PR5KMT2AFFAR1
SCHEMBL963783 0.80 MAOB (0.59) MAOBS1PR1S1PR5KMT2AFFAR1
Hydrochloric Acid SCHEMBL23235866 0.80 MAOB (0.62) MAOBS1PR1S1PR5KMT2AFFAR1
SCHEMBL4229059 0.79 MAOB (0.71) MAOB
SCHEMBL21340421 0.79 MAOB (0.61) MAOBS1PR1S1PR5KMT2AFFAR1
SCHEMBL11860320 0.79 MAOB (0.61) MAOBS1PR1S1PR5KMT2AFFAR1

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
WO-2010010435-A2 FUSED OXAZOLE AND THIAZOLE DERIVATIVES AS TRPMS MODULATORS GLENMARK PHARMACEUTICAL S.A. (CH) 2010-01-28 WO disclosed