SCHEMBL6969764

SCHEMBL6969764

CC(C)[CH]NC(=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HCAR2 Q8TDS4 1/20 0.37
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 2/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL6960115 0.80
SCHEMBL27460865 0.78
SCHEMBL8431317 0.78
SCHEMBL13525913 0.76
SCHEMBL5924688 0.76
SCHEMBL6897900 0.74 TSHR (0.39) TSHRHCAR2HPGDNPC1CYP1A2
SCHEMBL6588593 0.73 CA1 (0.43) CYP2D6GAA
SCHEMBL5710726 0.73 TSHR (0.37) TSHRHCAR2HPGDNPC1CYP1A2
SCHEMBL143364 0.71 TSHR (0.50) TSHRHCAR2HPGDNPC1CYP1A2
SCHEMBL11437545 0.71 TSHR (0.50) TSHRHCAR2HPGDNPC1CYP1A2

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed