SCHEMBL6414966

SCHEMBL6414966

O=C(O)c1cccc2ccc(OCc3ccccc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.60
ALOX5 P09917 1/20 0.59
SLC16A3 O15427 1/20 0.57
NR4A2 P43354 3/20 0.56
NR4A1 P22736 2/20 0.56
NR4A3 Q92570 2/20 0.56
MCL1 Q07820 1/20 0.56
CTSV O60911 1/20 0.55
CTSL P07711 1/20 0.55
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
PLAU P00749 1/20 0.53
PLAT P00750 1/20 0.53
MDH2 P40926 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DHODH Q02127 1/20 0.53
SRD5A2 P31213 2/20 0.52
MAOB P27338 1/20 0.52
FFAR1 O14842 1/20 0.52
MEN1 O00255 1/20 0.51

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
SCHEMBL11908686 0.84 SLC16A3 (0.56) MRGPRX4ALOX5SLC16A3NR4A2NR4A1
SCHEMBL8597245 0.84 HIF1A (0.52) MRGPRX4ALOX5NR4A2NR4A1NR4A3
SCHEMBL8596749 0.84 ALOX5 (0.51) MRGPRX4ALOX5SLC16A3NR4A2NR4A1
SCHEMBL6564323 0.82 PTPN7 (0.64) NR4A2NR4A1NR4A3MCL1ALDH1A1
SCHEMBL7061258 0.82 PTPN1 (0.68) MRGPRX4ALOX5SLC16A3NR4A2CTSV
SCHEMBL4489367 0.81 MRGPRX4 (0.50) MRGPRX4ALOX5NR4A2NR4A1NR4A3
SCHEMBL8596746 0.81 ALOX5 (0.48) MRGPRX4ALOX5SLC16A3NR4A2NR4A1
SCHEMBL8596757 0.81 ALOX5 (0.48) MRGPRX4ALOX5SLC16A3NR4A2NR4A1
SCHEMBL38662923 0.81 ALOX5 (0.65) MRGPRX4ALOX5NR4A2PLAUPLAT
SCHEMBL22213623 0.80 GFER (0.66) MRGPRX4SLC16A3CTSVCTSLALDH1A1

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