SCHEMBL6668784

SCHEMBL6668784

CSCC[C@H](N)C(=O)OC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 5/20 0.43
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC1A5 Q15758 1/20 0.41
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 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
SCHEMBL11750089 0.99 MARS1 (0.42) MARS1LMNAALDH1A1SLC1A5FNTA
SCHEMBL464778 0.81 ALPI (0.50) FNTAFNTBKMT2A
SCHEMBL11403740 0.81 LMNA (0.50) LMNAALDH1A1SLC1A5TDP1TSHR
SCHEMBL186936 0.81 LMNA (0.50) LMNAALDH1A1SLC1A5TDP1TSHR
SCHEMBL17165912 0.80 MARS1 (0.39) MARS1ALDH1A1FNTAFNTBKMT2A
SCHEMBL1997086 0.80 ALDH1A1 (0.45) LMNAALDH1A1SLC1A5TDP1TSHR
Hydrochloric Acid SCHEMBL6751555 0.80 SLC1A5 (0.51) LMNAALDH1A1SLC1A5TDP1POLB
SCHEMBL6261937 0.79 MME (0.47) MARS1ALDH1A1TDP1POLBMAPK1
SCHEMBL534809 0.79 DPP7 (0.48) LMNAALDH1A1SLC1A5TDP1POLB
SCHEMBL5084405 0.79 ALDH1A1 (0.44) LMNAALDH1A1SLC1A5TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 EP disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed