SCHEMBL21163067

SCHEMBL21163067

CCOC(=O)N1C(C)(C)CC(N(C2CC(C)(C)N(C(=O)OCC)C(C)(C)C2)C2CC(C)(C)N(C(=O)OCC)C(C)(C)C2)CC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
TSHR P16473 1/20 0.33
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL10991831 0.80 GAA (0.39) GAATSHRALDH1A1SMN1; SMN2POLB
SCHEMBL9580464 0.80 GAA (0.35) GAAALOX15
SCHEMBL21162862 0.79 CHRM2 (0.38) SMN1; SMN2
SCHEMBL9002710 0.76 THRB (0.36) GAATSHRALDH1A1POLBLMNA
SCHEMBL10748325 0.75 LMNA (0.34) GAATSHRALDH1A1SMN1; SMN2POLB
SCHEMBL20600085 0.70 KMT2A (0.39) GAATSHRALDH1A1SMN1; SMN2POLB
SCHEMBL9002573 0.70 ALDH1A1 (0.43) GAATSHRALDH1A1SMN1; SMN2POLB
SCHEMBL9580468 0.69 ALOX15 (0.34) GAAALDH1A1POLBLMNATHRB
SCHEMBL21162873 0.69 CYP2D6 (0.34) GAAALDH1A1LMNAMAPTCYP3A4
SCHEMBL11852732 0.68 GAA (0.31) GAA

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
US-10975305-B2 Piperidine derivative, liquid crystal composition, and liquid crystal display element JNC CORPORATION (JP) 2021-04-13 US disclosed
US-20190194542-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2019-06-27 US disclosed