SCHEMBL8564390

SCHEMBL8564390

COCC(=O)Nc1ccc(C=CC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.59
MAPT P10636 3/20 0.59
ALOX12 P18054 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
THRB P10828 1/20 0.53
ATM Q13315 1/20 0.53
RAB9A P51151 2/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
KDM4C Q9H3R0 1/20 0.50
HDAC3 O15379 5/20 0.48
HDAC4 P56524 5/20 0.48
HDAC1 Q13547 5/20 0.48
HDAC7 Q8WUI4 5/20 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
SCHEMBL8564387 1.00 HPGD (0.59) HPGDMAPTALOX12MAPK1HTT
SCHEMBL14358675 0.89 HPGD (0.67) HPGDMAPTALOX12MAPK1HTT
SCHEMBL14358671 0.89 HPGD (0.67) HPGDMAPTALOX12MAPK1HTT
SCHEMBL9911425 0.84 KDM4E (0.49) HPGDMAPTMAPK1HTTSMN1; SMN2
SCHEMBL7747223 0.83 MAPT (0.63) HPGDMAPTHTTALDH1A1RAB9A
SCHEMBL7747230 0.83 MAPT (0.63) HPGDMAPTHTTALDH1A1RAB9A
SCHEMBL7746901 0.83 KMT2A (0.67) HPGDMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL7746900 0.83 KMT2A (0.67) HPGDMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL14962804 0.82 HPGD (0.81) HPGDMAPTALOX12MAPK1HTT
SCHEMBL9912421 0.81 HCAR2 (0.52) MAPTMAPK1THRBATMRAB9A

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-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP disclosed
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed