SCHEMBL3823883

SCHEMBL3823883

Brc1ccc(OCc2ccccc2)cc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.62
ALOX5 P09917 1/20 0.61
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
CYP2C19 P33261 1/20 0.55
PTGS2 P35354 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HIF1A Q16665 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MAOA P21397 3/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TOP1 P11387 1/20 0.51
GSTP1 P09211 1/20 0.50
LCK P06239 1/20 0.50

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
SCHEMBL615020 0.85 MAOB (0.59) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL30628889 0.85 MAOB (0.59) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL31069846 0.85 LMNA (0.67) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL7778474 0.85 MAOB (0.59) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL281986 0.85 LMNA (0.67) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL6119729 0.84 MAOB (0.58) MAOBALOX5LMNAMAOAGAA
SCHEMBL31725937 0.84 MAOB (0.58) MAOBALOX5LMNAMAOAGAA
SCHEMBL749857 0.84 MEN1 (0.59) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL15941083 0.84 MAOB (0.57) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL2900304 0.84 LMNA (0.59) MAOBALOX5LMNACYP1A2PTGS1

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-2009109648-A1 PROCESS FOR PREPARING COMPOUNDS CONTAINING A HYDRONAPHTALENE STRUCTURE WITH AN UNSYMMETRICALLY SUBSTITUTED BENZENE RING SOLVIAS AG (CH) 2009-09-11 WO disclosed
EP-2098511-A1 Process for preparing compounds containing a hydronaphtalene structure with an unsymmetrically substituted benzene ring Solvias AG (CH) 2009-09-09 EP disclosed