SCHEMBL29196239

SCHEMBL29196239

COc1ccc(C)cc1C(=O)OCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.45
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
ACHE P22303 1/20 0.43
TP53 P04637 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
ATM Q13315 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HTT P42858 1/20 0.43
KLF10 Q13118 1/20 0.43
LMNA P02545 1/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1D Q01668 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
SCHEMBL29196252 0.89 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2GAAKMT2A
SCHEMBL4856552 0.89 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2GAAKMT2A
SCHEMBL301540 0.85 ALDH1A1 (0.66) ALDH1A1TSHRSMN1; SMN2KMT2AKDM4E
SCHEMBL2096332 0.83 LMNA (0.57) ALDH1A1TSHRSMN1; SMN2GAAKMT2A
SCHEMBL5696011 0.83 ALDH1A1 (0.57) ALDH1A1TSHRSMN1; SMN2KMT2AKDM4E
SCHEMBL28820189 0.82 ABCB1 (0.49) ALDH1A1TSHRSMN1; SMN2GAAKDM4E
SCHEMBL4628668 0.81 ALDH1A1 (0.60) ALDH1A1TSHRSMN1; SMN2GAAKMT2A
SCHEMBL1073248 0.81 ALDH1A1 (0.74) ALDH1A1TSHRSMN1; SMN2GAAKMT2A
SCHEMBL30320099 0.81 ALDH1A1 (0.59) ALDH1A1TSHRSMN1; SMN2KMT2AKDM4E
SCHEMBL29196240 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2AKDM4EMAPT

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-122037370-A Conductive polypropylene composition, and preparation method and application thereof 中国石油化工股份有限公司 2026-05-15 CN disclosed
CN-117924555-A Catalyst component, catalyst system, application of catalyst system and olefin polymerization method 中国石油化工股份有限公司 2024-04-26 CN disclosed
CN-117924556-A Spherical magnesium halide adduct and preparation method and application thereof 中国石油化工股份有限公司 2024-04-26 CN disclosed