SCHEMBL4280977

SCHEMBL4280977

FC1=CC=C(Oc2ccccc2)[CH]C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.41
TSHR P16473 1/20 0.41
NR1H2 P55055 1/20 0.33
BAX Q07812 1/20 0.33
MAOA P21397 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
AKR1C3 P42330 1/20 0.32
KCNA3 P22001 1/20 0.31
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
HTR1A P08908 2/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL13857927 0.64 LTA4H (0.39) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL4950525 0.62 LTA4H (1.00) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL2461810 0.62 LTA4H (1.00) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL12286 0.62 LTA4H (1.00) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL9061108 0.62 LTA4H (1.00) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL12332681 0.60 LTA4H (0.58) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL255272 0.60 LTA4H (0.67) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL6889917 0.60 LTA4H (0.92) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL18096784 0.60 LTA4H (0.92) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL250562 0.60 LTA4H (0.92) LTA4HTSHRNR1H2BAXMAOA

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
EP-2038278-A2 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-03-25 EP disclosed
WO-2008002956-A2 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-01-03 WO disclosed