SCHEMBL30456738

SCHEMBL30456738

O=C(O)c1ccc(-c2cc(-c3ccc(C(=O)O)c(O)c3)cc(-c3ccc(C(=O)O)c(O)c3)c2)cc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 3/20 0.77
HNF4A P41235 2/20 0.77
ALDH1A1 P00352 2/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
TSHR P16473 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
XDH P47989 3/20 0.59
SLC22A12 Q96S37 3/20 0.59
MAPT P10636 2/20 0.57
CYP3A4 P08684 1/20 0.57
GAA P10253 1/20 0.57
ESR2 Q92731 1/20 0.57
KDM4E B2RXH2 1/20 0.57
PTPN1 P18031 1/20 0.57
PPM1B O75688 1/20 0.56
PTGS2 P35354 1/20 0.54

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
SCHEMBL2773864 0.95 ACMSD (0.83) ACMSDHNF4AALDH1A1CA12CA1
SCHEMBL29441950 0.95 ACMSD (0.83) ACMSDHNF4AALDH1A1CA12CA1
SCHEMBL18735541 0.93 ACMSD (0.88) ACMSDHNF4AALDH1A1CA12CA1
SCHEMBL22126663 0.87 ACMSD (0.78) ACMSDHNF4AALDH1A1CA12CA1
SCHEMBL2536183 0.87 ACMSD (1.00) ACMSDHNF4AALDH1A1CA12CA1
SCHEMBL29810721 0.87 ACMSD (1.00) ACMSDHNF4AALDH1A1CA12CA1
SCHEMBL17384107 0.87 ACMSD (0.71) ACMSDHNF4AALDH1A1CA12CA1
SCHEMBL28364476 0.85 ACMSD (0.75) ACMSDHNF4AALDH1A1CA12CA1
SCHEMBL31070130 0.85 ACMSD (0.75) ACMSDHNF4AALDH1A1CA12CA1
SCHEMBL17384104 0.84 HNF4A (0.68) ACMSDHNF4AALDH1A1CA12CA1

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-116253909-A Hydrogel film for visual detection of antibiotics in water body and preparation method thereof 浙江大学 2023-06-13 CN claimed