SCHEMBL7742435

SCHEMBL7742435

CCC(=O)Nc1ccccc1/C=C/C(=O)N(C[C]=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
SNCA P37840 2/20 0.38
CYP1A2 P05177 2/20 0.37
POLB P06746 2/20 0.37
CYP2C19 P33261 2/20 0.37
THRB P10828 2/20 0.37
HPGD P15428 3/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
BLM P54132 1/20 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
SCHEMBL7748235 0.87 ALDH1A1 (0.36) ALDH1A1RAB9ANPC1SMN1; SMN2SNCA
SCHEMBL7746952 0.86 ALDH1A1 (0.38) ALDH1A1RAB9ANPC1SMN1; SMN2SNCA
SCHEMBL7746449 0.83 SNCA (0.39) ALDH1A1RAB9ANPC1SMN1; SMN2SNCA
SCHEMBL7749514 0.79 MAPT (0.36) ALDH1A1NPC1SMN1; SMN2POLBHPGD
SCHEMBL7742615 0.78 MAPK1 (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2THRB
SCHEMBL7748159 0.77 NPC1 (0.33) ALDH1A1NPC1SMN1; SMN2LMNAMAPT
SCHEMBL7748626 0.76 ESR1 (0.36) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL7742792 0.76 KDM4E (0.37) ALDH1A1RAB9ANPC1SMN1; SMN2SNCA
SCHEMBL7748439 0.74 NPC1 (0.32) ALDH1A1NPC1SNCAPOLBLMNA
SCHEMBL6971892 0.74 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1SMN1; SMN2SNCA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0622361-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-10-04 EP disclosed
US-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed
US-6169095-B1 FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES IN THE EYE, SUCH AS ALLERGY, INFLAMMATION AND PAIN OF THE EYE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
US-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
US-5922711-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, SHOCK OR ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-13 US disclosed
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-5708173-A PREPARATION OF SUBSTITUTED QUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP 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
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 US disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed