SCHEMBL7700889

SCHEMBL7700889

COC(=O)C1=Cc2cc(Cl)ccc2OCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.63
CA9 Q16790 8/20 0.63
CA2 P00918 3/20 0.63
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 6/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSP90AA1 P07900 1/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL11526406 0.86 CA12 (0.66) CA12CA9CA2MEN1KMT2A
SCHEMBL7380758 0.86 CA12 (0.47) CA12CA9CA2MEN1KMT2A
SCHEMBL5209506 0.84 CCR2 (0.46) CA12CA9CA2MAPTLMNA
SCHEMBL3086662 0.83 CA12 (0.46) CA12CA9CA2MEN1KMT2A
SCHEMBL6756803 0.83 MEN1 (0.52) CA12CA9CA2MEN1KMT2A
SCHEMBL5203826 0.81 CA12 (0.43) CA12CA9CA2MAPTALDH1A1
SCHEMBL7685102 0.81 CCR5 (0.46) CA12CA9CA2CCR5
SCHEMBL914240 0.80 CA12 (0.59) CA12CA9MEN1KMT2AMAPT
SCHEMBL5209478 0.80 KMT2A (0.44) CA12CA9MEN1KMT2AMAPT
SCHEMBL7218118 0.78 GRM5 (0.46) CA12CA9CA2MEN1KMT2A

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