SCHEMBL8944486

SCHEMBL8944486

COC(=O)c1sccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.52
CYP1A2 P05177 1/20 0.52
NPC1 O15118 1/20 0.43
EDNRA P25101 2/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPK10 P53779 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL4404392 0.77 KMT2A (0.56) KMT2AMEN1CYP1A2NPC1KDM4E
SCHEMBL922692 0.77 KMT2A (0.69) KMT2AMEN1CYP1A2NPC1KDM4E
SCHEMBL8119446 0.74 KMT2A (0.65) KMT2AMEN1CYP1A2NPC1KDM4E
SCHEMBL13208586 0.74 KMT2A (0.51) KMT2AMEN1CYP1A2NPC1KDM4E
SCHEMBL11463026 0.72 KMT2A (0.63) KMT2AMEN1CYP1A2NPC1KDM4E
SCHEMBL8106855 0.72 KMT2A (0.52) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL1060193 0.72 CA12 (0.32)
SCHEMBL281854 0.71 RAF1 (0.41) KMT2AMEN1NPC1KDM4EALDH1A1
SCHEMBL10630642 0.71 KMT2A (0.61) KMT2AMEN1CYP1A2NPC1KDM4E
SCHEMBL20505093 0.71 KMT2A (0.61) KMT2AMEN1CYP1A2NPC1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541202-A New leukotriene-B4 Antagonists and their use as pharmaceutical agents SCHERING AKTIENGESELLSCAFT (DE) 1996-07-30 US disclosed
EP-0597968-A1 NEW LEUKOTRIENE-B 4? ANTAGONISTS, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1994-05-25 EP disclosed
WO-1993004056-A1 NEW LEUKOTRIENE-B4 ANTAGONISTS, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1993-03-04 WO disclosed
EP-0529749-A1 Leukotriene-B4-antagonists, method for their preparation, and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1993-03-03 EP disclosed