SCHEMBL28279304

SCHEMBL28279304

O=C(O)c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(C(=O)O)c(C(=O)O)c3)c2)cc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 3/20 0.67
HNF4A P41235 2/20 0.66
DHFR P00374 1/20 0.66
MCL1 Q07820 1/20 0.66
DCLRE1A Q6PJP8 1/20 0.58
DCLRE1B Q9H816 1/20 0.58
PTPN1 P18031 3/20 0.56
CDC25B P30305 2/20 0.55
ATM Q13315 1/20 0.55
AKR1C2 P52895 3/20 0.55
AKR1C1 Q04828 3/20 0.55
AKR1C4 P17516 1/20 0.55
AKR1C3 P42330 1/20 0.55
KMO O15229 1/20 0.53
EGFR P00533 1/20 0.53
PTPN2 P17706 1/20 0.53
PTPN6 P29350 1/20 0.53
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
IKBKB O14920 1/20 0.52

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
SCHEMBL30365332 1.00 ACMSD (0.67) ACMSDHNF4ADHFRMCL1DCLRE1A
SCHEMBL68982 0.96 ACMSD (0.70) ACMSDHNF4ADHFRMCL1DCLRE1A
SCHEMBL30616786 0.96 ACMSD (0.70) ACMSDHNF4ADHFRMCL1DCLRE1A
Methane SCHEMBL29008389 0.94 ACMSD (0.68) ACMSDHNF4ADHFRMCL1DCLRE1A
Hydrochloric Acid SCHEMBL11162468 0.94 ACMSD (0.68) ACMSDHNF4ADHFRMCL1DCLRE1A
Water SCHEMBL29008379 0.94 ACMSD (0.68) ACMSDHNF4ADHFRMCL1DCLRE1A
Formaldehyde SCHEMBL29008382 0.92 ACMSD (0.66) ACMSDHNF4ADHFRMCL1DCLRE1A
SCHEMBL8999909 0.91 ACMSD (0.66) ACMSDHNF4ADHFRMCL1DCLRE1A
SCHEMBL29395437 0.91 ACMSD (0.66) ACMSDHNF4ADHFRMCL1DCLRE1A
SCHEMBL1099041 0.91 ACMSD (0.66) ACMSDHNF4ADHFRMCL1DCLRE1A

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-109627439-A A kind of polyimides of the structure containing young laying ducks in cage and preparation method thereof 株洲时代新材料科技股份有限公司 2019-04-16 CN claimed
CN-109438703-A Black polyamide microballoon and preparation method thereof and preparation method containing its film 株洲时代新材料科技股份有限公司 2019-03-08 CN claimed
CN-109627439-A A kind of polyimides of the structure containing young laying ducks in cage and preparation method thereof 株洲时代新材料科技股份有限公司 2019-04-16 CN disclosed