SCHEMBL29196252

SCHEMBL29196252

COc1cc(C)ccc1C(=O)OCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
TP53 P04637 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSP90AA1 P07900 1/20 0.45
KDM4E B2RXH2 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
IDO1 P14902 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
SCHEMBL29196239 0.89 ALDH1A1 (0.56) ALDH1A1TSHRKMT2AMAPTMEN1
SCHEMBL9826483 0.84 KMT2A (0.52) ALDH1A1TSHRKMT2AMAPTMEN1
SCHEMBL301540 0.84 ALDH1A1 (0.66) ALDH1A1TSHRKMT2AMAPTMEN1
SCHEMBL29196247 0.84 ALDH1A1 (0.53) ALDH1A1TSHRKMT2AMAPTMEN1
SCHEMBL30320099 0.83 ALDH1A1 (0.59) ALDH1A1TSHRKMT2AMAPTMEN1
SCHEMBL1073248 0.83 ALDH1A1 (0.74) ALDH1A1TSHRKMT2AMAPTMEN1
SCHEMBL7512802 0.81 ALDH1A1 (0.57) ALDH1A1TSHRKMT2AMAPTMEN1
SCHEMBL14974443 0.81 CA12 (0.45) ALDH1A1TSHRMAPTTP53SMN1; SMN2
SCHEMBL20267228 0.80 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTMEN1NPSR1
SCHEMBL4628668 0.80 ALDH1A1 (0.60) ALDH1A1TSHRKMT2AMAPTMEN1

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