SCHEMBL8718013

SCHEMBL8718013

CCON=Cc1ccc2c(C(=O)OCC)occ2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
TTR P02766 1/20 0.35
DPP4 P27487 1/20 0.35
AURKA O14965 1/20 0.34
KDM4E B2RXH2 4/20 0.34
RAB9A P51151 2/20 0.34
AHR P35869 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL9121263 0.77 MAOA (0.49) SMN1; SMN2KDM4ECA12CA1CA2
SCHEMBL8716110 0.76 LMNA (0.47) SMN1; SMN2KDM4ERAB9AAHRCA12
SCHEMBL7628834 0.76 ALDH1A1 (0.47) SMN1; SMN2KDM4EAHRMAPTKMT2A
SCHEMBL8718011 0.75 MAPK1 (0.46) KDM4ECA12CA2CA7CA9
SCHEMBL1511820 0.75 KDM4E (0.51) SMN1; SMN2KDM4ERAB9ACA12CA2
SCHEMBL29120037 0.74 CYP4F2 (0.50) SMN1; SMN2KDM4ERAB9AAHRCA12
SCHEMBL8713685 0.73 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EAHRMAPTGAA
SCHEMBL9684011 0.72 KDM4E (0.52) SMN1; SMN2KDM4ERAB9AAHRMAOB
Hydrochloric Acid SCHEMBL5548172 0.71 CA12 (0.53) SMN1; SMN2KDM4ERAB9ACA12CA1
Hydrochloric Acid SCHEMBL5548174 0.71 CA12 (0.53) SMN1; SMN2KDM4ERAB9ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed