SCHEMBL7831007

SCHEMBL7831007

COC(=O)c1ccc(OC(C)=O)c(-n2cccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 3/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
TOP1 P11387 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL7816653 0.87 MAPT (0.54) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL7828077 0.80 MEN1 (0.45) RAB9ANPC1SMN1; SMN2MAPTTSHR
SCHEMBL7824669 0.80 CYP4A11 (0.43) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL27469088 0.79 ALDH1A1 (0.59) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL7827414 0.79 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2MAPTTSHR
SCHEMBL7823115 0.79 CA12 (0.59) SMN1; SMN2MAPTTSHRALDH1A1KDM4E
SCHEMBL7824617 0.78 HPGD (0.53) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL31213036 0.76 CA12 (0.59) RAB9ANPC1SMN1; SMN2MAPTTSHR
SCHEMBL2592774 0.76 CA12 (0.59) RAB9ANPC1SMN1; SMN2MAPTTSHR
SCHEMBL7816615 0.75 ALDH1A1 (0.46) NPC1SMN1; SMN2MAPTTSHRALDH1A1

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-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed