SCHEMBL29196243

SCHEMBL29196243

COc1cc(C)ccc1C(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
ACHE P22303 1/20 0.46
HTT P42858 2/20 0.45
HSP90AA1 P07900 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 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
SCHEMBL29196240 0.90 ALDH1A1 (0.52) MAPTCA12CA1CA2CA7
SCHEMBL1699075 0.87 CA12 (0.50) MAPTCA12CA1CA2CA7
SCHEMBL15675408 0.84 CA12 (0.58) MAPTCA12CA1CA2CA7
SCHEMBL15701345 0.84 ALDH1A1 (0.48) MAPTCA12CA1CA2CA7
SCHEMBL30822785 0.83 MAPT (0.45) MAPTKDM4EALDH1A1ACHEHTT
SCHEMBL136101 0.82 MAPT (0.60) MAPTCA12CA1CA2CA7
SCHEMBL1071954 0.81 HPGD (0.58) MAPTALDH1A1NPSR1L3MBTL1NPC1
SCHEMBL29196245 0.81 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL2064454 0.80 HTT (0.59) MAPTCA9KDM4EALDH1A1ACHE
SCHEMBL29196252 0.80 ALDH1A1 (0.54) MAPTKDM4EALDH1A1ACHEHTT

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-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