SCHEMBL30616786

SCHEMBL30616786

O=C(O)c1ccc(-c2ccccc2)cc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 3/20 0.70
HNF4A P41235 2/20 0.70
DHFR P00374 1/20 0.70
MCL1 Q07820 1/20 0.70
DCLRE1A Q6PJP8 1/20 0.61
DCLRE1B Q9H816 1/20 0.61
CDC25B P30305 2/20 0.59
ATM Q13315 1/20 0.59
PTPN1 P18031 2/20 0.58
ALDH1A1 P00352 1/20 0.56
ALOX15 P16050 1/20 0.56
IKBKB O14920 1/20 0.55
KDM4E B2RXH2 1/20 0.54
GFER P55789 1/20 0.54
KMT2A Q03164 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
CDC25A P30304 1/20 0.53
HSD17B10 Q99714 1/20 0.53
AKR1C2 P52895 3/20 0.53
AKR1C1 Q04828 3/20 0.53

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
SCHEMBL68982 1.00 ACMSD (0.70) ACMSDHNF4ADHFRMCL1DCLRE1A
Methane SCHEMBL29008389 0.98 ACMSD (0.68) ACMSDHNF4ADHFRMCL1DCLRE1A
Hydrochloric Acid SCHEMBL11162468 0.98 ACMSD (0.68) ACMSDHNF4ADHFRMCL1DCLRE1A
Water SCHEMBL29008379 0.98 ACMSD (0.68) ACMSDHNF4ADHFRMCL1DCLRE1A
SCHEMBL30365332 0.96 ACMSD (0.67) ACMSDHNF4ADHFRMCL1DCLRE1A
SCHEMBL28279304 0.96 ACMSD (0.67) ACMSDHNF4ADHFRMCL1DCLRE1A
Formaldehyde SCHEMBL29008382 0.96 ACMSD (0.66) ACMSDHNF4ADHFRMCL1DCLRE1A
Sulfur Dioxide SCHEMBL29008373 0.94 ACMSD (0.63) ACMSDHNF4ADHFRMCL1DCLRE1A
Benzene SCHEMBL3623695 0.93 KMT2A (0.60) ACMSDHNF4ADHFRMCL1DCLRE1A
SCHEMBL9550353 0.93 KMT2A (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116917258-A Compound, mixture, curable resin composition, and cured product thereof 日本化药株式会社 2023-10-20 CN disclosed