SCHEMBL6599899

SCHEMBL6599899

CCOC(=O)c1c(-c2cccc3ccccc23)cn(C(Cc2ccc3c(c2)OCO3)c2cnc[nH]2)c1SCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.42
FNTB P49356 4/20 0.42
TSHR P16473 3/20 0.39
PGGT1B P53609 3/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 4/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
PPP1CA P62136 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ELANE P08246 1/20 0.36
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6599881 0.92 FNTA (0.39) FNTAFNTBTSHRPGGT1BCYP3A4
SCHEMBL6596847 0.87 FNTA (0.49) FNTAFNTBPGGT1BCYP3A4MAPT
SCHEMBL6601970 0.85 FNTA (0.41) FNTAFNTBTSHRPGGT1BCYP3A4
SCHEMBL6600381 0.84 FNTA (0.41) FNTAFNTBTSHRPGGT1BCYP3A4
SCHEMBL6598939 0.81 FNTA (0.51) FNTAFNTBPGGT1BCYP3A4GAA
SCHEMBL6598190 0.80 FNTA (0.52) FNTAFNTBTSHRPGGT1BCYP3A4
SCHEMBL6599904 0.77 FNTA (0.56) FNTAFNTBTSHRPGGT1BCYP3A4
SCHEMBL6600150 0.73 FNTA (0.38) FNTAFNTBPGGT1BCYP3A4LMNA
SCHEMBL4955195 0.73 FNTA (0.60) FNTAFNTBPGGT1BCYP3A4LMNA
SCHEMBL6599375 0.73 FNTA (0.45) FNTAFNTBTSHRPGGT1BCYP3A4

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