SCHEMBL6410573

SCHEMBL6410573

CC(C)[Si](Oc1ccc2cccc(C(=O)O)c2c1)(C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
NR1H4 Q96RI1 2/20 0.43
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
LMNA P02545 1/20 0.39
PLA2G2D Q9UNK4 1/20 0.39
POLB P06746 1/20 0.39
CDC25B P30305 2/20 0.39
CYP1A2 P05177 2/20 0.38
NR1I2 O75469 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NQO2 P16083 1/20 0.38
WDR5 P61964 1/20 0.37

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
Lithium SCHEMBL6433640 0.82 MTNR1A (0.47) MTNR1ANQO2
SCHEMBL6433632 0.82 MTNR1A (0.47) MTNR1ANQO2
SCHEMBL6582651 0.80 MTNR1A (0.52) MTNR1ANQO2
SCHEMBL6432839 0.80 MTNR1A (0.50) MTNR1ANQO2
SCHEMBL3327762 0.79 MTNR1A (0.70) MTNR1ANR4A1NR4A2NR4A3ALDH1A1
Lithium Ion SCHEMBL6433635 0.79 MTNR1A (0.46) MTNR1ANQO2
SCHEMBL6417161 0.77 HTR2A (0.35) MTNR1AALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL6583218 0.74 HTR2A (0.49) MTNR1ANQO2
SCHEMBL29053386 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL1663492 0.74 ALDH1A1 (0.46) PTPN1ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090011-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
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
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed
US-6410534-B1 ANTICANCER AGENTS MERCK & CO., INC. 2002-06-25 US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
EP-1090011-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed
WO-2000001701-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed