SCHEMBL7343255

SCHEMBL7343255

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 2/20 0.44
MAPT P10636 2/20 0.38
DHFR P00374 1/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNQ4 P56696 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TBXAS1 P24557 1/20 0.34
LIPE Q05469 1/20 0.34
FDFT1 P37268 1/20 0.34
MAOB P27338 1/20 0.34
KCNQ2 O43526 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7345259 0.88 CYP4Z1 (0.51) CYP4Z1MAPTLMNASMN1; SMN2CTDSP1
SCHEMBL7337806 0.82 CA12 (0.44) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL7346077 0.81 CYP4Z1 (0.45) CYP4Z1MAPTLMNASMN1; SMN2CTDSP1
SCHEMBL7339360 0.81 ALDH1A1 (0.52) CYP4Z1MAPTSMN1; SMN2CTDSP1ALDH1A1
SCHEMBL16774519 0.73 TBXAS1 (0.50) CYP4Z1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL68851 0.72 CYP4Z1 (0.62) CYP4Z1MAPTLMNASMN1; SMN2TSHR
SCHEMBL7343265 0.71 MAPT (0.54) CYP4Z1MAPTLMNASMN1; SMN2TSHR
SCHEMBL512626 0.71 CYP4Z1 (0.55) CYP4Z1MAPTLMNASMN1; SMN2TSHR
SCHEMBL7343260 0.70 MAPT (0.51) CYP4Z1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL24095167 0.70 CYP4Z1 (0.50) CYP4Z1MAPTLMNASMN1; SMN2TSHR

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