SCHEMBL29080439

SCHEMBL29080439

COc1ccc(C(C)(C)CC(C)(C)C)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MDH1 P40925 1/20 0.40
MDH2 P40926 1/20 0.40
CYP3A4 P08684 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
TUBB1 Q9H4B7 2/20 0.38
CYP2D6 P10635 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HIF1A Q16665 1/20 0.38
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37

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
SCHEMBL20790210 0.84 ALDH1A1 (0.47) ALDH1A1CYP3A4SMN1; SMN2MAPTTUBB1
SCHEMBL20789944 0.83 ALDH1A1 (0.42) ALDH1A1CYP3A4SMN1; SMN2MAPTTUBB1
SCHEMBL16428890 0.80 ALDH1A1 (0.48) ALDH1A1CYP3A4SMN1; SMN2MAPTTUBB1
SCHEMBL30679140 0.80 ALDH1A1 (0.48) ALDH1A1CYP3A4SMN1; SMN2MAPTTUBB1
SCHEMBL580616 0.80 ALDH1A1 (0.48) ALDH1A1CYP3A4SMN1; SMN2MAPTTUBB1
SCHEMBL29895607 0.79 GAA (0.49) SHBGALDH1A1MDH1MDH2CYP3A4
SCHEMBL8649642 0.79 SHBG (0.43) SHBGALDH1A1MDH1MDH2CYP3A4
SCHEMBL6152034 0.79 SHBG (0.43) SHBGALDH1A1MDH1MDH2CYP3A4
SCHEMBL6826197 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4SMN1; SMN2MAPTCYP2D6
SCHEMBL10590354 0.78 MDH1 (0.45) SHBGALDH1A1MDH1MDH2MAPT

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-116554378-A Non-metallocene catalyst, preparation method and application 万华化学集团股份有限公司 2023-08-08 CN claimed
CN-116554378-A Non-metallocene catalyst, preparation method and application 万华化学集团股份有限公司 2023-08-08 CN disclosed