SCHEMBL4660728

SCHEMBL4660728

C/C(=C/F)Cc1cc(F)c(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
MAOB P27338 1/20 0.37
RIPK1 Q13546 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL4659392 0.80 MAOA (0.44) TRPA1MAOBRIPK1
SCHEMBL4659366 0.75 IDO1 (0.34) TRPA1
SCHEMBL4660687 0.75 IDO1 (0.34) TRPA1
SCHEMBL4660558 0.75 RIPK1 (0.41) TRPA1RIPK1CES2CES1
SCHEMBL5511607 0.74 MAOB (0.46) TRPA1MAOBRIPK1CES2CES1
SCHEMBL4660608 0.73 DAO (0.35) TRPA1
SCHEMBL4659363 0.73 SIGMAR1 (0.41) MAOB
SCHEMBL1294638 0.72 AOC2 (0.43) MAOBCES2CES1
SCHEMBL1294635 0.72 AOC2 (0.43) MAOBCES2CES1
SCHEMBL1296000 0.72 AOC2 (0.43) MAOBCES2CES1

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-2004166-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-12-24 EP claimed
WO-2007120528-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-10-25 WO claimed