SCHEMBL28294628

SCHEMBL28294628

C=CC(=O)OC1CC(C)(C)N(c2ccccc2)C(C)(C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
TSHR P16473 3/20 0.44
GAA P10253 3/20 0.40
HTT P42858 1/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 3/20 0.37
CHRM3 P20309 4/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
SCN1A P35498 3/20 0.35
SCN2A Q99250 3/20 0.35
SCN3A Q9NY46 3/20 0.35
ALDH1A1 P00352 3/20 0.34
ESR1 P03372 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 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
SCHEMBL6905310 0.84 KMT2A (0.49) KMT2ATSHRGAAHTTCYP2D6
SCHEMBL6905312 0.84 KMT2A (0.49) KMT2ATSHRGAAHTTCYP2D6
SCHEMBL9421827 0.80 TSHR (0.41) KMT2ATSHRGAAHTTCYP2D6
SCHEMBL28108099 0.80 TSHR (0.67) KMT2ATSHRGAAHTTLMNA
SCHEMBL3191892 0.76 TSHR (0.33) KMT2ATSHRGAAHTTALDH1A1
SCHEMBL1053833 0.76 GAA (0.44) KMT2ATSHRGAAHTTCYP2D6
SCHEMBL69507 0.76 TSHR (0.33) KMT2ATSHRGAAHTTCYP2D6
SCHEMBL9329606 0.74 CYP2D6 (0.39) KMT2ATSHRGAAHTTCYP2D6
SCHEMBL8850033 0.74 TSHR (0.33) KMT2ATSHRGAAHTTALDH1A1
SCHEMBL1685817 0.74 TSHR (0.33) KMT2ATSHRGAAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109694542-A Polyacetal resin composite 旭化成株式会社 2019-04-30 CN disclosed
CN-109694541-A Polyacetal resin composite 旭化成株式会社 2019-04-30 CN disclosed