SCHEMBL7202707

SCHEMBL7202707

CC1(C)C[C@@H]1C(=O)N1C(=O)OC[C@@H]1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NAAA Q02083 1/20 0.38
RIPK1 Q13546 2/20 0.36
IDH1 O75874 7/20 0.36
HDAC1 Q13547 2/20 0.35

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
SCHEMBL7202710 1.00 ALDH1A1 (0.42) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL7204889 1.00 ALDH1A1 (0.42) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL21447473 0.87 LMNA (0.39) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL21447256 0.87 LMNA (0.39) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL21447258 0.87 LMNA (0.39) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL23357302 0.87 LMNA (0.39) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL23357120 0.87 LMNA (0.39) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL23356926 0.87 LMNA (0.39) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL21447259 0.87 LMNA (0.39) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL23375810 0.87 LMNA (0.39) ALDH1A1GAAHTTNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003043996-A1 A METHOD FOR PREPARING OF CHIRAL 2,2-DIMETHYLCYCLOPROPANECARBOXYL DERIVATIVES CHEMTECH RESEARCH INCORPORATION (KR) 2003-05-30 WO disclosed