SCHEMBL7751885

SCHEMBL7751885

[CH2]COc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
MAOB P27338 7/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AOC3 Q16853 1/20 0.44
CACNA1B Q00975 1/20 0.43
MAPK14 Q16539 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN9A Q15858 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
SCHEMBL535429 0.94 MAOB (0.52) LTA4HMAOBALDH1A1AOC3
SCHEMBL2096245 0.88 KIF11 (0.49) MAOBALDH1A1AOC3
SCHEMBL11148692 0.82 CA1 (0.52) LTA4HMAOBALDH1A1MAPTL3MBTL1
SCHEMBL1685383 0.82 CA1 (0.52) LTA4HMAOBALDH1A1MAPTL3MBTL1
SCHEMBL29377645 0.80 LTA4H (0.50) LTA4HMAOBALDH1A1MAPTL3MBTL1
SCHEMBL11336712 0.80 RAB9A (0.57) MAOBALDH1A1LMNAMAPTATM
SCHEMBL5534895 0.80 MAPK14 (0.48) LTA4HMAOBCACNA1BMAPK14SCN9A
SCHEMBL1044973 0.78 LTA4H (0.50) LTA4HMAOBALDH1A1AOC3
SCHEMBL5544769 0.77 TAAR1 (0.50) LTA4HMAOBMAPK14
SCHEMBL7747383 0.77 LTA4H (0.58) LTA4HMAOBALDH1A1AOC3CACNA1B

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-2001036371-A1 CARBONIC ACID DERIVATIVES AND THEIR USE AS ECTOPARASITICIDAL COMPOSITION NOVARTIS AG (CH) 2001-05-25 WO disclosed