SCHEMBL9869396

SCHEMBL9869396

CN1C(C)(C)CC(OC(=O)c2ccc(C(C)(C)C)cc2)CC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.45
ESR1 P03372 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 4/20 0.44
SCN1A P35498 2/20 0.43
SCN2A Q99250 2/20 0.43
SCN3A Q9NY46 2/20 0.43
MEN1 O00255 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.40
GRIN2B Q13224 1/20 0.40
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL22288733 0.90 TSHR (0.58) TSHRGAAALDH1A1ESR1HSD17B10
SCHEMBL316935 0.89 GAA (0.52) TSHRGAAALDH1A1ESR1HSD17B10
SCHEMBL1433961 0.89 TSHR (0.50) TSHRGAAALDH1A1ESR1HSD17B10
SCHEMBL19720379 0.88 TSHR (0.49) TSHRGAAALDH1A1ESR1HSD17B10
SCHEMBL13474857 0.86 TSHR (0.54) TSHRGAAALDH1A1ESR1HSD17B10
SCHEMBL10577913 0.85 TSHR (0.47) TSHRGAAALDH1A1ESR1HSD17B10
SCHEMBL19976793 0.84 GAA (0.56) TSHRGAAALDH1A1ESR1HSD17B10
SCHEMBL19884630 0.83 TSHR (0.52) TSHRGAAALDH1A1ESR1HSD17B10
SCHEMBL26807591 0.83 PTPN2 (0.55) TSHRGAAALDH1A1ESR1HSD17B10
SCHEMBL11158374 0.83 CYP2D6 (0.57) TSHRGAAALDH1A1ESR1HSD17B10

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-5013774-A Imidized acrylics, tetramethylpiperidine stabilizer, weatherproofing MITSUBISHI RAYON COMPANY, LTD. (JP) 1991-05-07 US disclosed