SCHEMBL6409166

SCHEMBL6409166

C=CCOc1ccc(OCc2ccccc2)c(C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.51
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
TUBB1 Q9H4B7 1/20 0.47
MAOB P27338 2/20 0.47
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCND1 P24385 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
MAOA P21397 1/20 0.47
ERN1 O75460 3/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX5 P09917 2/20 0.42
PTGES O14684 1/20 0.41

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
SCHEMBL3615463 0.89 MAOB (0.58) BCHETUBB1MAOBCCNB2CDK1
SCHEMBL22266039 0.85 TUBB1 (0.46) TUBB1MAPTRAB9ASMN1; SMN2
SCHEMBL7608727 0.85 CCNB2 (0.50) TUBB1MAOBCCNB2CDK1CDK4
SCHEMBL6629023 0.84 BCHE (0.51) BCHEEGFRERBB2MAOBCCNB2
SCHEMBL4032216 0.83 TUBB1 (0.52) TUBB1MAOBCCNB2CDK1CDK4
SCHEMBL11452343 0.83 CCNB2 (0.59) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL9694724 0.82 CCNB2 (0.50) TUBB1MAOBCCNB2CDK1CDK4
SCHEMBL2573994 0.82 TUBB1 (0.57) TUBB1MAOBCCNB2CDK1CDK4
SCHEMBL4030463 0.81 TUBB1 (0.53) TUBB1MAOBCCNB2CDK1CDK4
SCHEMBL7143453 0.81 PTGES (0.49) BCHETUBB1MAOBCCNB2CDK1

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
EP-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed