SCHEMBL30395913

SCHEMBL30395913

O=C(O)c1ccc(C(=O)O)c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.48
ALDH1A1 P00352 5/20 0.48
ALOX15 P16050 1/20 0.48
HNF4A P41235 3/20 0.47
CDC25B P30305 2/20 0.47
ACMSD Q8TDX5 2/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 2/20 0.44
KDM4E B2RXH2 3/20 0.44
AKR1C3 P42330 1/20 0.43
DHFR P00374 1/20 0.42
MCL1 Q07820 1/20 0.42
CDC25A P30304 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 2/20 0.42
PIM1 P11309 1/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DCLRE1A Q6PJP8 1/20 0.42

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
SCHEMBL6755748 1.00 WDR5 (0.48) WDR5ALDH1A1ALOX15HNF4ACDC25B
SCHEMBL2791938 0.91 CYP1A2 (0.46) WDR5ALDH1A1ALOX15HNF4ACDC25B
SCHEMBL27024028 0.88 HNF4A (0.48) WDR5ALDH1A1ALOX15HNF4ACDC25B
SCHEMBL7760443 0.88 ACMSD (0.46) WDR5ALDH1A1ALOX15HNF4ACDC25B
SCHEMBL332581 0.86 ALDH1A1 (0.57) WDR5ALDH1A1ALOX15HNF4ACDC25B
SCHEMBL21486 0.86 HNF4A (0.52) WDR5ALDH1A1ALOX15HNF4ACDC25B
SCHEMBL995362 0.86 HNF4A (0.52) WDR5ALDH1A1ALOX15HNF4ACDC25B
SCHEMBL29945054 0.86 ACMSD (0.52) ALDH1A1ALOX15HNF4ACDC25BACMSD
SCHEMBL11795056 0.85 CDC25B (0.43) WDR5ALDH1A1ALOX15HNF4ACDC25B
SCHEMBL31014273 0.84 KMT2A (0.46) WDR5ALDH1A1ALOX15HNF4ACDC25B

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-111684013-B Thermoplastic resin composition and molded article thereof 帝人株式会社 2023-02-28 CN disclosed