SCHEMBL7337806

SCHEMBL7337806

C#CCOC(=O)N(C=O)c1ccc(C(=O)OCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA7 P43166 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43
HPGD P15428 4/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HSP90AA1 P07900 2/20 0.40

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
SCHEMBL7338657 0.88 CA1 (0.53) CA12CA1CA2CA9CA14
SCHEMBL7343255 0.82 CYP4Z1 (0.44) LMNAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL7335872 0.81 CA12 (0.45) CA12CA1CA2CA9CA14
SCHEMBL7336547 0.79 MAPT (0.58) CA12CA1CA2CA9CA14
SCHEMBL4592147 0.72 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL176369 0.72 CA12 (0.71) CA12CA1CA2CA9CA14
SCHEMBL14311840 0.71 CA12 (0.58) CA12CA1CA2CA9CA14
SCHEMBL4633394 0.71 CTDSP1 (0.51) LMNACYP1A2CYP3A4HPGDMAPT
SCHEMBL2909577 0.71 CA12 (0.61) CA12CA1CA2CA9CA14
SCHEMBL7337813 0.70 SMN1; SMN2 (0.52) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622984-A INHIBITORS OF PHOSPHOLIPASE, VARIOUS PROTEASES ONO PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-04-22 US disclosed
US-5614555-A Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
EP-0588655-B1 Amidinophenol derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP disclosed
US-5432178-A Substituted benzoic acid esters; use to prevent or treat inflammatory diseases, allergic diseases, disseminated intravascular coagulation, pancreatitis or multiple organ failure ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 US disclosed
EP-0588655-A1 Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-03-23 EP disclosed