SCHEMBL6599377

SCHEMBL6599377

CCOC(=O)c1cn(Cc2c(C)ncn2Cc2ccc3c(c2)OCO3)cc1-c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.56
FNTB P49356 6/20 0.56
PGGT1B P53609 3/20 0.56
CYP3A4 P08684 1/20 0.56
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
PPP1CA P62136 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
PKM P14618 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ELANE P08246 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6598326 0.91 FNTA (0.58) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL6599575 0.86 FNTA (0.67) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL6601443 0.86 FNTA (0.65) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL6606555 0.78 FNTA (0.65) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL6599698 0.78 FNTA (0.75) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL6607629 0.78 FNTA (0.75) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL6608433 0.78 FNTA (0.64) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL6599257 0.76 FNTA (0.71) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL6600660 0.74 FNTA (0.60) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL6598679 0.74 FNTA (0.57) FNTAFNTBPGGT1BCYP3A4ALDH1A1

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