SCHEMBL7702347

SCHEMBL7702347

CCOC(=O)C1=Cc2cccc(C(N)=O)c2OCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.50
TSHR P16473 2/20 0.40
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MGAM O43451 1/20 0.35
AMY1A P0DUB6 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7699846 0.91 TSHR (0.46) PARP1TSHRALDH1A1HSD17B10GAA
SCHEMBL7702968 0.89 TSHR (0.41) PARP1TSHRALDH1A1HSD17B10GAA
SCHEMBL7385154 0.85 ALDH1A1 (0.43) TSHRALDH1A1HSD17B10TLR8TLR7
SCHEMBL7385304 0.85 MAPT (0.39) TSHRALDH1A1GAAL3MBTL1MGAM
SCHEMBL7696668 0.84 CA12 (0.48) TSHRALDH1A1HSD17B10GAAMGAM
SCHEMBL7386364 0.83 CA12 (0.37) TSHRALDH1A1HSD17B10TLR8TLR7
SCHEMBL7385104 0.83 NOTUM (0.40) TSHRALDH1A1L3MBTL1CA12CA1
SCHEMBL7698997 0.83 CYP4F2 (0.41) TSHRALDH1A1GAAMGAMAMY1A
SCHEMBL7382828 0.83 L3MBTL1 (0.40) TSHRALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL7700639 0.82 ALDH1A1 (0.40) TSHRALDH1A1GAAMGAMAMY1A

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-6346527-B1 1-BENZOXEPIN DERIVATIVES USED IN THE PREVENTION OF SODIUM AND HYDROGEN ION EXCHANGE; CARDIOVASCULAR, KIDNEY AND BRAIN DISORDER TREATMENT; ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-12 US disclosed
EP-1073650-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-07 EP disclosed
WO-1999055690-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-04 WO disclosed