SCHEMBL7700725

SCHEMBL7700725

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.44
CA9 Q16790 10/20 0.44
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 2/20 0.34
NR1H4 Q96RI1 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA2 P00918 2/20 0.32

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
SCHEMBL7386387 0.81 CA12 (0.63) CA12CA9KMT2ANPC1RAB9A
SCHEMBL7696929 0.81 CA12 (0.47) CA12CA9KMT2ANPC1RAB9A
SCHEMBL7700005 0.80 CA12 (0.46) CA12CA9KMT2ANPC1RAB9A
SCHEMBL7695330 0.80 CA12 (0.46) CA12CA9KMT2ANPC1RAB9A
SCHEMBL7702855 0.80 CA12 (0.46) CA12CA9KMT2ANPC1RAB9A
SCHEMBL7700022 0.78 CA12 (0.44) CA12CA9KMT2ANPC1RAB9A
SCHEMBL7699029 0.78 CA12 (0.44) CA12CA9KMT2ANPC1RAB9A
SCHEMBL7695182 0.77 KMT2A (0.33) KMT2A
SCHEMBL7695184 0.77 KMT2A (0.32) KMT2A
SCHEMBL7703347 0.77 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