SCHEMBL6598797

SCHEMBL6598797

CC(C)(C)[Si](C)(C)OCc1cncn1Cc1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.48
FNTB P49356 5/20 0.48
PGGT1B P53609 5/20 0.48
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 2/20 0.41
CMA1 P23946 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE5A O76074 3/20 0.40

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
SCHEMBL6601984 0.79 KDM4E (0.47) KDM4EMAPK1L3MBTL1CYP3A4CMA1
SCHEMBL6599662 0.78 CYP11B1 (0.52) FNTAFNTBPGGT1BKDM4EMAPK1
SCHEMBL13160969 0.78 CYP11B1 (0.50) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL6602509 0.77 FNTA (0.49) FNTAFNTBPGGT1BKDM4EMAPK1
SCHEMBL3628808 0.76 CYP11B1 (0.60) FNTAFNTBPGGT1B
SCHEMBL6598800 0.71 PDE5A (0.40) FNTAFNTBPGGT1BKDM4EMAPK1
SCHEMBL27559433 0.71 KDM4E (0.49) KDM4EMAPK1L3MBTL1CMA1MEN1
SCHEMBL1106692 0.70 BACE1 (0.33) FNTAFNTBPGGT1B
SCHEMBL1097299 0.70 CYP19A1 (0.42) FNTAFNTBPGGT1BMAPT
SCHEMBL27580269 0.69 TSHR (0.62) FNTAFNTBPGGT1BKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169320-B1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2004-09-22 EP disclosed
US-6511978-B1 For treating cancer, restenosis, atherosclerosis or viral infections LG LIFE SCIENCES, LTD. (KR) 2003-01-28 US disclosed