SCHEMBL11857771

SCHEMBL11857771

CC(C)C(=O)NCCC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
DPP4 P27487 1/20 0.34
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
BCHE P06276 1/20 0.34
NQO2 P16083 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
TSHR P16473 2/20 0.33
KMT2A Q03164 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL11860867 0.83 EPHX1 (0.38) TSHRKMT2AMEN1
SCHEMBL11866961 0.82 MAPK1 (0.36) MAPK1NQO2MTNR1AMTNR1BTSHR
SCHEMBL11861382 0.82 TSHR (0.35) CYP2C19TSHRNFKB1
SCHEMBL11862740 0.81 TSHR (0.35) SIGMAR1TSHR
SCHEMBL24333751 0.80 SIGMAR1 (0.38) SIGMAR1CYP2C19CYP1A2CYP3A4MAPK1
SCHEMBL11868753 0.79 ACHE (0.34) BCHETSHR
SCHEMBL11861922 0.79 HSD17B10 (0.39) TSHRKMT2AMEN1
SCHEMBL11856678 0.77 EPHX2 (0.33) TSHR
SCHEMBL11090 0.76 SIGMAR1 (0.49) SIGMAR1CYP2C19CYP1A2CYP3A4MAPK1
SCHEMBL11860686 0.76 SIRT2 (0.31) TSHR

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
US-3937711-A POLYMERIC STABILIZERS, POLYOLEFINS CIBA-GEIGY CORPORATION (US) 1976-02-10 US disclosed