SCHEMBL12415253

SCHEMBL12415253

C=CC(=O)N1C(C)(C)CC(OC(=O)C(=O)OC2CC(C)(C)N(C(=O)C=C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL17522097 0.90 TSHR (0.36) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL8850033 0.88 TSHR (0.33) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL8849275 0.88 TSHR (0.44) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL9421812 0.85 KMT2A (0.32) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL29798451 0.84 JAK3 (0.30) KMT2A
SCHEMBL11843909 0.83
SCHEMBL9421808 0.81 NAAA (0.42) TSHRKMT2AGAAALDH1A1
SCHEMBL27326482 0.80 TSHR (0.32) TSHRKMT2AGAA
SCHEMBL11178201 0.80
SCHEMBL20081645 0.79 TSHR (0.35) TSHRKMT2AALDH1A1ESR1HSD17B10

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-20110163284-A1 LIGHTING UNIT COVER FUJIFILM CORPORATION (JP) 2011-07-07 US disclosed