SCHEMBL28952831

SCHEMBL28952831

CCCOC(C)c1cc(C(=O)O)c2c(C(=O)O)ccc3c4ccc(C(=O)O)c5c(C(=O)O)ccc(c1c23)c54

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 2/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ CAMKK1 Q8N5S9 1/20 0.32
▸ CAMKK2 Q96RR4 1/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ ADRB1 P08588 2/20 0.31
▸ ADRB3 P13945 2/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ CASP3 P42574 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ CASP9 P55211 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
SCHEMBL29209225 0.92 ACE2 (0.34) ACE2CYP1A2CAMKK1CAMKK2
SCHEMBL29260898 0.79 CYP1A2 (0.41) ACE2CYP1A2ALDH1A1CAMKK1CAMKK2
SCHEMBL27201021 0.74 CYP1A2 (0.37) ACE2CYP1A2ALDH1A1HTTKMT2A
SCHEMBL29191718 0.72 ACE2 (0.40) ACE2CYP1A2ALDH1A1CAMKK1CAMKK2
SCHEMBL27704458 0.72 CYP1A2 (0.47) ACE2CYP1A2ALDH1A1KMT2AKDM4E
SCHEMBL29778069 0.69 GABRP (0.43) CYP1A2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL28204666 0.69 GABRP (0.43) CYP1A2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL28154264 0.68 PPARA (0.48) ALDH1A1KMT2AMEN1
SCHEMBL28223234 0.68 PPARA (0.48) ALDH1A1KMT2AMEN1
SCHEMBL30117300 0.67 CYP1A2 (0.78) ACE2CYP1A2ALDH1A1KMT2AKDM4E

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-115020587-A Multilayer composite contact electrode and preparation method and application thereof 吉林大学 2022-09-06 — — CN claimed
CN-115020587-A Multilayer composite contact electrode and preparation method and application thereof 吉林大学 2022-09-06 — — CN disclosed
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