SCHEMBL30799247

SCHEMBL30799247

Cc1c(C(C)(C)C)ccc(C(C)(C)C)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.56
GABRA1 P14867 1/20 0.54
GABRB2 P47870 1/20 0.54
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TYR P14679 2/20 0.48
POLB P06746 1/20 0.48
CA1 P00915 2/20 0.44
CYP2C9 P11712 5/20 0.43
CYP2C19 P33261 4/20 0.43
CYP1A2 P05177 3/20 0.43
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX15 P16050 4/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATP2A2 P16615 1/20 0.42
ATP2A3 Q93084 1/20 0.42
HIF1A Q16665 3/20 0.39
TP53 P04637 2/20 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
SCHEMBL23387425 1.00 CA2 (0.56) CA2GABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL580699 0.85 GABRA1 (0.56) CA2GABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL29644929 0.85 GABRA1 (0.56) CA2GABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL1049025 0.85 ALDH1A1 (0.46) CA2GABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL27825271 0.85 CA2 (0.52) CA2GABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL30229685 0.85 GABRA1 (0.56) CA2GABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL144172 0.85 GABRA1 (0.56) CA2GABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL47580 0.83 CA2 (0.68) CA2GABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL30938109 0.83 CA2 (0.68) CA2GABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL10771653 0.81 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122037020-A Supported catalyst, preparation method thereof and application thereof in olefin polymerization 中国石油化工股份有限公司 2026-05-15 CN claimed
CN-122037020-A Supported catalyst, preparation method thereof and application thereof in olefin polymerization 中国石油化工股份有限公司 2026-05-15 CN disclosed
CN-112679635-B Preparation method of supported metallocene catalyst and catalyst prepared by preparation method 中国石油化工股份有限公司 2024-03-26 CN disclosed