SCHEMBL7702968

SCHEMBL7702968

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PARP1 P09874 1/20 0.36
ALOX15 P16050 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 0.93 TSHR (0.46) TSHRALDH1A1HSD17B10CYP1A2KDM4E
SCHEMBL7702347 0.89 PARP1 (0.50) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL7385304 0.86 MAPT (0.39) TSHRALDH1A1CYP1A2KDM4ECYP2C19
SCHEMBL7695330 0.86 CA12 (0.46) ALDH1A1HSD17B10KDM4ECA12CA9
SCHEMBL7696668 0.85 CA12 (0.48) TSHRALDH1A1HSD17B10CYP1A2CA12
SCHEMBL7388400 0.84 EED (0.42) TSHRALDH1A1HSD17B10CYP1A2KDM4E
SCHEMBL7385104 0.84 NOTUM (0.40) TSHRALDH1A1CYP1A2KDM4ECYP2C19
SCHEMBL7698997 0.84 CYP4F2 (0.41) TSHRALDH1A1CYP1A2CA12CA1
SCHEMBL7386364 0.84 CA12 (0.37) TSHRALDH1A1HSD17B10CYP1A2KDM4E
SCHEMBL7385154 0.84 ALDH1A1 (0.43) TSHRALDH1A1HSD17B10CYP1A2KDM4E

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