SCHEMBL4659409

SCHEMBL4659409

C/C(=C/F)Cc1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.40
RIPK1 Q13546 1/20 0.39
DPP4 P27487 5/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
DPP7 Q9UHL4 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DPP9 Q86TI2 2/20 0.35

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
SCHEMBL4659435 0.85 IDO1 (0.43) MAPK8RIPK1SIGMAR1MAPTSMN1; SMN2
SCHEMBL4660558 0.78 RIPK1 (0.41) RIPK1CES2CES1TRPA1
SCHEMBL14263434 0.77 RIPK1 (0.47) MAPK8RIPK1DPP4CA3CA6
SCHEMBL1294911 0.75 AOC2 (0.47) MAPK8RIPK1DPP4CA3CA6
SCHEMBL1294915 0.75 AOC2 (0.47) MAPK8RIPK1DPP4CA3CA6
SCHEMBL1295149 0.75 AOC2 (0.47) MAPK8RIPK1DPP4CA3CA6
Hydrochloric Acid SCHEMBL1295963 0.74 AOC2 (0.46) MAPK8RIPK1DPP4CA3CA6
Hydrochloric Acid SCHEMBL1295962 0.74 AOC2 (0.46) MAPK8RIPK1DPP4CA3CA6
SCHEMBL8063678 0.73 MAPK8 (0.46) MAPK8RIPK1SIGMAR1MAPTSMN1; SMN2
SCHEMBL13329807 0.73 MAPK8 (0.52) MAPK8RIPK1SIGMAR1MAPTSMN1; SMN2

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 4 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
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 disclosed
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 disclosed