SCHEMBL6829386

SCHEMBL6829386

Cc1ccc(C(O)CC(C)(C)N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TAAR1 Q96RJ0 2/20 0.36
HIF1A Q16665 2/20 0.36
TSHR P16473 2/20 0.36
HTR3A P46098 1/20 0.36
NFKB1 P19838 1/20 0.36
RIPK1 Q13546 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CHRNA7 P36544 1/20 0.34
AOC3 Q16853 2/20 0.34
ACHE P22303 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL506779 0.83 RIPK1 (0.42) NR3C2ALDH1A1MAPTTAAR1HIF1A
SCHEMBL6829522 0.82 AOC3 (0.53) KDM4EAOC3
SCHEMBL3746491 0.82 RIPK1 (0.55) ALDH1A1TAAR1HIF1ARIPK1KDM4E
SCHEMBL8027464 0.82 RIPK1 (0.55) ALDH1A1TAAR1HIF1ARIPK1KDM4E
SCHEMBL11981258 0.82 ALDH1A1 (0.40) NR3C2ALDH1A1MAPTTAAR1HIF1A
SCHEMBL6831554 0.79 AOC3 (0.57) ALDH1A1MAPTTSHRTDP1CYP1A2
SCHEMBL24015547 0.78 ALDH1A1 (0.40) NR3C2ALDH1A1MAPTTAAR1HIF1A
SCHEMBL7151036 0.74 TAAR1 (0.64) NR3C2ALDH1A1MAPTTAAR1HIF1A
SCHEMBL531326 0.74 TAAR1 (0.64) NR3C2ALDH1A1MAPTTAAR1HIF1A
SCHEMBL6675367 0.74 TAAR1 (0.64) NR3C2ALDH1A1MAPTTAAR1HIF1A

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-2004043921-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-ARYL-3-HYDROXYMETHYL-1-METHYLPIPERIDINES. NATCO PHARMA LIMITED (IN) 2004-05-27 WO disclosed