SCHEMBL7699596

SCHEMBL7699596

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
NR1I2 O75469 1/20 0.48
PGR P06401 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2C9 P11712 1/20 0.48
SLC6A2 P23975 1/20 0.48
TBXAS1 P24557 1/20 0.48
CYP2C19 P33261 1/20 0.48
DRD3 P35462 1/20 0.48
OPRK1 P41145 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH2 Q12809 1/20 0.48
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B1 P14061 1/20 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
SCHEMBL7699593 1.00 LMNA (0.48) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL7702054 0.91 L3MBTL1 (0.38) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL7702052 0.91 L3MBTL1 (0.38) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL7703505 0.86 KDM4E (0.47) HTTKDM4EALDH1A1L3MBTL1PREP
SCHEMBL7703504 0.86 KDM4E (0.47) HTTKDM4EALDH1A1L3MBTL1PREP
SCHEMBL7700639 0.82 ALDH1A1 (0.40) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL7878684 0.79 USP2 (0.41) LMNAHTTALDH1A1KMT2AL3MBTL1
SCHEMBL7385304 0.78 MAPT (0.39) HTTCYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL7697664 0.78 DDB1 (0.41) LMNAHTTCYP3A4CYP2C19KDM4E
SCHEMBL7699846 0.77 TSHR (0.46) LMNAHTTCYP3A4CYP2C9CYP2C19

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