SCHEMBL28382201

SCHEMBL28382201

C=CC=CC(C)(C(=O)O)C1CC2C=CC1C2

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
HIF1A Q16665 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
PTGS2 P35354 1/20 0.30
HRH1 P35367 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL7715404 0.73 KDM4E (0.40) LMNAKDM4EUSP2ALDH1A1TDP1
SCHEMBL11762541 0.68 ALDH1A1 (0.34) KDM4EUSP2ALDH1A1TDP1
SCHEMBL7713922 0.65 KDM4E (0.39) LMNAKDM4EUSP2ALDH1A1TDP1
SCHEMBL18408693 0.65 KDM4E (0.30) KDM4E
SCHEMBL23365405 0.65 KDM4E (0.33) LMNAKDM4EUSP2ALDH1A1TDP1
Acetic Acid SCHEMBL29206228 0.65 EPHX2 (0.35) LMNAKDM4EUSP2ALDH1A1TDP1
SCHEMBL18713297 0.65 ALDH1A1 (0.43) LMNAKDM4EUSP2ALDH1A1TDP1
SCHEMBL122649 0.65 ALDH1A1 (0.43) LMNAKDM4EUSP2ALDH1A1TDP1
SCHEMBL6382740 0.64 ALDH1A1 (0.40) LMNAKDM4EUSP2ALDH1A1TDP1
SCHEMBL4602458 0.64 ALDH1A1 (0.38) LMNAKDM4EUSP2ALDH1A1TDP1

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-111051360-B Polymerization catalyst composition, method for producing polymer, rubber composition, and tire 株式会社普利司通 2022-10-28 CN disclosed
CN-111051360-A Polymerization catalyst composition, method for producing polymer, rubber composition, and tire 株式会社普利司通 2020-04-21 CN disclosed