SCHEMBL6624008

SCHEMBL6624008

CC(C)(C)OC(=O)c1ccccc1CNO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HIF1A Q16665 1/20 0.43
EGFR P00533 1/20 0.42
KCNA5 P22460 1/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HPGD P15428 2/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 2/20 0.37

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
SCHEMBL951581 0.83 TSHR (0.46) ADRA1AADRA1BLMNAALDH1A1EGFR
SCHEMBL7675373 0.81 ALDH1A1 (0.42) ADRA1AADRA1BLMNAALDH1A1EGFR
SCHEMBL3499475 0.81 LMNA (0.44) ADRA1AADRA1BLMNAALDH1A1EGFR
SCHEMBL27670092 0.80 ALDH1A1 (0.41) ADRA1AADRA1BLMNAALDH1A1HIF1A
SCHEMBL319240 0.80 ALDH1A1 (0.45) ADRA1AADRA1BLMNAALDH1A1EGFR
Hydrochloric Acid SCHEMBL29024518 0.80 TSHR (0.43) ADRA1AADRA1BLMNAALDH1A1EGFR
SCHEMBL30736662 0.80 ALDH1A1 (0.45) ADRA1AADRA1BLMNAALDH1A1EGFR
SCHEMBL16940008 0.80 ALDH1A1 (0.41) ADRA1AADRA1BLMNAALDH1A1EGFR
SCHEMBL4838670 0.80 ALDH1A1 (0.41) ADRA1AADRA1BLMNAALDH1A1EGFR
SCHEMBL5984166 0.79 BCAT2 (0.49) ADRA1AADRA1BLMNAALDH1A1HIF1A

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