SCHEMBL7717824

SCHEMBL7717824

COC(=O)C1=Cc2cccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
POLB P06746 5/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ABL1 P00519 1/20 0.33
HSD17B10 Q99714 2/20 0.32
TRPA1 O75762 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
NR4A1 P22736 1/20 0.31
APEX1 P27695 1/20 0.31
PTPN7 P35236 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL7777419 0.82 TLR8 (0.36) CA12CA9ALDH1A1MAPTKDM4E
SCHEMBL7717808 0.81 PTGIR (0.31)
SCHEMBL7718298 0.77 TRPA1 (0.32) CA12CA9ALDH1A1KDM4EHPGD
SCHEMBL7779651 0.76 PTGIR (0.35)
SCHEMBL7716620 0.74 DRD2 (0.34)
SCHEMBL7718275 0.74 PTGIR (0.36)
SCHEMBL7487183 0.73 ADRB2 (0.46) KDM4EHPGDBRD4
SCHEMBL7714885 0.72 CA9 (0.39) CA12CA9POLBALDH1A1MAPT
SCHEMBL8082988 0.72 CA12 (0.36) CA12CA9ABL1
SCHEMBL7718886 0.72 MTNR1A (0.39) MAPTALOX15

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-6384072-B1 CARBAMYL SUBSTITUTED COMPOUNDS WITH ETHER GROUPS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-1030834-A1 BENZOCYCLOHEPTENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 EP disclosed
WO-1999024397-A1 BENZOCYCLOHEPTENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-05-20 WO disclosed