SCHEMBL8920575

SCHEMBL8920575

CCOC(=O)c1cc(OC)c2[nH]c(=O)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.52
LMNA P02545 2/20 0.46
PTPN11 Q06124 1/20 0.46
UBE2N P61088 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BCL2L1 Q07817 1/20 0.42

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
SCHEMBL8919196 0.81 CA12 (0.50) LMNACA12CA1CA2CA7
SCHEMBL15683086 0.80 PTPN11 (0.43) LMNAPTPN11CA12CA1CA2
SCHEMBL19945392 0.78 ALDH1A1 (0.48) HSD17B2LMNAMAPTSMN1; SMN2MEN1
SCHEMBL31294802 0.76 KDM4E (0.57) LMNACA12CA1CA2CA7
SCHEMBL8919183 0.75 CHEK1 (0.43) LMNAPTPN11CA12CA1CA2
SCHEMBL19751536 0.75 CA12 (0.49) LMNACA12CA9MAPTTP53
SCHEMBL3070095 0.74 KDM4E (0.55) CA12CA1CA2CA7CA9
SCHEMBL5680100 0.74 HSD17B2 (0.65) HSD17B2LMNACA12CA1CA2
SCHEMBL20589362 0.73 MAOB (0.48) PTPN11MAPTRAB9AMEN1KMT2A
SCHEMBL2390984 0.73 HSD17B2 (0.52) HSD17B2LMNAPTPN11CA12CA1

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-5591751-A CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US disclosed
EP-0636128-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
WO-1994019339-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed