SCHEMBL7076110

SCHEMBL7076110

CC(C)(C)[Si](C)(C)OCCOc1ccc(-c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.46
MRGPRX4 Q96LA9 2/20 0.45
MAOB P27338 1/20 0.44
ENPP3 O14638 1/20 0.44
ENPP1 P22413 1/20 0.44
DHODH Q02127 3/20 0.43
HDAC4 P56524 1/20 0.43
NAAA Q02083 1/20 0.43
NR4A2 P43354 1/20 0.43
LCK P06239 1/20 0.42
MCL1 Q07820 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42

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
SCHEMBL16346074 0.81 GSTP1 (0.66) GSTP1MRGPRX4MAOBHDAC4NAAA
SCHEMBL7084289 0.79 MAOB (0.42) MAOB
SCHEMBL7817624 0.79 GSTP1 (0.60) GSTP1MRGPRX4MAOBHDAC4NR4A2
SCHEMBL7989601 0.78 CYP3A4 (0.38) GSTP1MAOBENPP3ENPP1NR4A2
SCHEMBL3165173 0.78 CYP4F2 (0.52) MAOB
SCHEMBL17299381 0.77 LTA4H (0.50) MAOB
SCHEMBL2137838 0.76 MRGPRX4 (0.69) GSTP1MRGPRX4MAOBHDAC4NAAA
SCHEMBL9405631 0.76 MAOB (0.71) GSTP1MRGPRX4MAOBNR4A2
SCHEMBL25219606 0.75 MAOB (0.41) MAOB
SCHEMBL31052352 0.75 MAOB (0.41) MAOB

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
EP-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed