SCHEMBL16792146

SCHEMBL16792146

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC(C(=O)O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 1.00
FNTB P49356 8/20 1.00
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 1/20 0.55
ATM Q13315 1/20 0.55
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
UGT1A1 P22309 1/20 0.53
TRPA1 O75762 1/20 0.53
SQLE Q14534 1/20 0.52

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
SCHEMBL11703920 1.00 FNTA (1.00) FNTAFNTBKMT2AKDM4EATM
SCHEMBL8625937 0.98 FNTA (0.96) FNTAFNTBKMT2AKDM4EATM
SCHEMBL8625931 0.98 FNTA (0.96) FNTAFNTBKMT2AKDM4EATM
SCHEMBL9129708 0.98 FNTA (0.96) FNTAFNTBKMT2AKDM4EATM
SCHEMBL17223965 0.93 FNTA (0.86) FNTAFNTBKMT2AKDM4EATM
SCHEMBL17223966 0.93 FNTA (0.86) FNTAFNTBKMT2AKDM4EATM
SCHEMBL3271383 0.91 FNTA (0.83) FNTAFNTBKMT2AKDM4EATM
SCHEMBL11549345 0.89 FNTA (0.79) FNTAFNTBKMT2AKDM4EATM
SCHEMBL11551176 0.89 FNTA (0.79) FNTAFNTBKMT2AKDM4EATM
SCHEMBL11549341 0.89 FNTA (0.79) FNTAFNTBKMT2AKDM4EATM

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
WO-2015089349-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2015-06-18 WO disclosed
WO-2015084721-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2015-06-11 WO disclosed