SCHEMBL7695330

SCHEMBL7695330

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
KMT2A Q03164 2/20 0.40
PARP1 P09874 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
TRPA1 O75762 3/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7702968 0.86 TSHR (0.41) CA12CA9PARP1RAB9AMAPT
SCHEMBL7703347 0.86 CA12 (0.44) CA12CA9KMT2APARP1NPC1
SCHEMBL7698900 0.86 PARP1 (0.44) CA12CA9KMT2APARP1NR1H4
SCHEMBL7696929 0.83 CA12 (0.47) CA12CA9KMT2APARP1NPC1
SCHEMBL7386387 0.83 CA12 (0.63) CA12CA9KMT2ANPC1RAB9A
SCHEMBL7702855 0.82 CA12 (0.46) CA12CA9KMT2ANPC1RAB9A
SCHEMBL7700005 0.82 CA12 (0.46) CA12CA9KMT2ANPC1RAB9A
SCHEMBL7700022 0.80 CA12 (0.44) CA12CA9KMT2ANPC1RAB9A
SCHEMBL7699029 0.80 CA12 (0.44) CA12CA9KMT2ANPC1RAB9A
SCHEMBL7700725 0.80 CA12 (0.44) CA12CA9KMT2ANPC1RAB9A

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