SCHEMBL7698997

SCHEMBL7698997

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
EED O75530 2/20 0.37
PREP P48147 1/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
AMY1A P0DUB6 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
MTNR1A P48039 4/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 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
SCHEMBL7703355 0.90 PREP (0.40) CYP4F2CYP4A11EEDPREPALDH1A1
SCHEMBL7385304 0.87 MAPT (0.39) CYP4F2CYP4A11PREPCA12CA9
SCHEMBL7702855 0.87 CA12 (0.46) CYP4F2CYP4A11CA12CA9ALDH1A1
SCHEMBL7699846 0.86 TSHR (0.46) CA12CA9CA1CA2CA7
SCHEMBL7696668 0.86 CA12 (0.48) CYP4F2CYP4A11PREPCA12CA9
SCHEMBL7385154 0.85 ALDH1A1 (0.43) CYP4F2CYP4A11PREPCA12CA9
SCHEMBL7385104 0.85 NOTUM (0.40) CYP4F2CYP4A11PREPCA12CA9
SCHEMBL7386364 0.85 CA12 (0.37) CYP4F2CYP4A11EEDPREPCA12
SCHEMBL7702968 0.84 TSHR (0.41) CYP4F2CYP4A11EEDPREPCA12
SCHEMBL7700639 0.84 ALDH1A1 (0.40) CYP4F2CYP4A11EEDPREPCA12

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