SCHEMBL28655418

SCHEMBL28655418

Cc1cc(C)c(-c2ccc(C(C)(C)C)cc2-c2c(C)cc(C)c(C(=O)O)c2C)c(C)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
PLA2G1B P04054 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
GRIN2C Q14957 1/20 0.37
DHODH Q02127 1/20 0.36
RXRB P28702 3/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL29903221 0.85 RXRB (0.38) ALDH1A1L3MBTL1GRIN2CDHODHRXRB
SCHEMBL28664621 0.81 LDHA (0.41) CA12CA1CA9ALDH1A1L3MBTL1
SCHEMBL28660408 0.79 TTR (0.46) CA12CA1CA9ALDH1A1L3MBTL1
SCHEMBL9815280 0.75 CYP3A4 (0.48) ALDH1A1L3MBTL1TDP1KDM4E
SCHEMBL18493974 0.72 CYP3A4 (0.42) ALDH1A1DHODHRXRBRXRA
SCHEMBL501930 0.71 RXRB (0.50) ALDH1A1L3MBTL1RXRBSRD5A2NR1H4
SCHEMBL6026916 0.69 FABP4 (0.43) ALDH1A1NPC1RAB9ADHODHLMNA
SCHEMBL8106142 0.69 CYP3A4 (0.54) ALDH1A1L3MBTL1TDP1KDM4E
Hydrochloric Acid SCHEMBL5037307 0.67 CYP3A4 (0.52) ALDH1A1L3MBTL1TDP1KDM4E
Hydrochloric Acid SCHEMBL5042476 0.67 CYP3A4 (0.52) ALDH1A1L3MBTL1TDP1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085301-B Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2023-05-09 CN claimed
CN-114085301-A Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2022-02-25 CN claimed
CN-113773423-A Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2021-12-10 CN claimed
CN-114085301-B Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2023-05-09 CN disclosed
CN-114085301-A Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2022-02-25 CN disclosed
CN-113773423-A Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2021-12-10 CN disclosed