SCHEMBL6410263

SCHEMBL6410263

O=S(=O)(O)CCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.65
CYP4A11 Q02928 1/20 0.65
MGLL Q99685 1/20 0.63
NR4A2 P43354 1/20 0.55
FFAR1 O14842 1/20 0.55
BCHE P06276 4/20 0.53
MAOB P27338 5/20 0.52
MAOA P21397 1/20 0.51
CYP2D6 P10635 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
LTB4R Q15722 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.50
SMPD1 P17405 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL6750228 0.90 MGLL (0.74) CYP4F2CYP4A11MGLLNR4A2FFAR1
SCHEMBL8577307 0.89 MGLL (0.76) CYP4F2CYP4A11MGLLNR4A2FFAR1
SCHEMBL1171455 0.88 MGLL (0.74) CYP4F2CYP4A11MGLLNR4A2FFAR1
SCHEMBL1171457 0.88 MGLL (0.74) CYP4F2CYP4A11MGLLNR4A2FFAR1
SCHEMBL12493461 0.86 CYP4F2 (0.61) CYP4F2CYP4A11MGLLNR4A2FFAR1
SCHEMBL6033828 0.84 FDFT1 (0.54) FFAR1
SCHEMBL8855387 0.83 FFAR1 (0.60) MGLLNR4A2FFAR1BCHE
SCHEMBL1573203 0.82 KDM4E (0.43) CYP4F2CYP4A11MGLLFFAR1CYP2D6
SCHEMBL15895227 0.80 TAAR1 (0.57)
SCHEMBL3179250 0.79 CYP4F2 (1.00) CYP4F2CYP4A11MGLLNR4A2FFAR1

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 5 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-2000016778-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-03-30 WO disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed