SCHEMBL9707070

SCHEMBL9707070

BrCc1ccc(OCc2ccccc2)cc1.BrCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.59
FFAR4 Q5NUL3 2/20 0.59
MAOB P27338 3/20 0.53
BCHE P06276 3/20 0.51
LCK P06239 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PPARG P37231 1/20 0.48

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
SCHEMBL29411728 0.85 MAOB (0.68) MAOBBCHELCKCYP4F2CYP4A11
SCHEMBL80829 0.85 MAOB (0.68) MAOBBCHELCKCYP4F2CYP4A11
SCHEMBL282581 0.85 LMNA (0.64) FFAR1FFAR4MAOBBCHELMNA
SCHEMBL202774 0.85 ALDH1A1 (0.54) MAOB
SCHEMBL9491438 0.84 FFAR1 (0.68) FFAR1FFAR4MAOBBCHELCK
Bromide SCHEMBL11317156 0.84 ALDH1A1 (0.53) FFAR1FFAR4MAOB
SCHEMBL1437775 0.83 APP (0.64) FFAR1FFAR4MAOBBCHELMNA
SCHEMBL1775149 0.82 MAOB (0.58) FFAR1MAOBBCHELCKCYP4F2
SCHEMBL891493 0.82 FFAR1 (0.69) FFAR1FFAR4MAOBBCHELMNA
SCHEMBL11849334 0.82 LMNA (0.69) FFAR1FFAR4MAOBBCHELMNA

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-1992015579-A1 MULTICYCLIC TERTIARY AMINE POLYAROMATIC SQUALENE SYNTHETASE INHIBITORS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-09-17 WO disclosed