SCHEMBL28378581

SCHEMBL28378581

CC1(C)CC(C(=O)OCc2ccccc2)CC(C)(C)N1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.50
EZH2 Q15910 2/20 0.48
TSHR P16473 2/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 3/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.46
HTR2C P28335 1/20 0.45
CYP3A4 P08684 1/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6758990 0.86 ALDH1A1 (0.51) TSHRGAAALDH1A1PKMHPGD
SCHEMBL6876401 0.85 ALDH1A1 (0.50) TSHRGAAALDH1A1PKMHPGD
SCHEMBL6758987 0.85 ALDH1A1 (0.50) TSHRGAAALDH1A1PKMHPGD
SCHEMBL1907855 0.85 ALDH1A1 (0.50) TSHRGAAALDH1A1PKMHPGD
SCHEMBL15270499 0.84 ALDH1A1 (0.49) TSHRGAAALDH1A1PKMHPGD
SCHEMBL15289517 0.84 ALDH1A1 (0.49) TSHRGAAALDH1A1PKMHPGD
SCHEMBL3160414 0.83 TSHR (0.46) BACE1EZH2TSHRGAAALDH1A1
SCHEMBL23111370 0.81 HPGD (0.48) TSHRGAAALDH1A1PKMHPGD
SCHEMBL20016522 0.81 HPGD (0.48) TSHRGAAALDH1A1PKMHPGD
SCHEMBL11409293 0.81 HPGD (0.57) BACE1TSHRALDH1A1HPGDSMN1; SMN2

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
CN-107735453-B Polycarbonate resin composition 帝人株式会社 2019-12-27 CN disclosed