SCHEMBL29516581

SCHEMBL29516581

O=C(O)c1cc(C(=O)O)cc(-c2ccc(C(=O)O)c(-c3cc(C(=O)O)cc(C(=O)O)c3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.49
DDT P30046 1/20 0.44
HNF4A P41235 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KMO O15229 1/20 0.41
RXRB P28702 5/20 0.41
RXRA P19793 4/20 0.41
PTPN1 P18031 1/20 0.41
FOLH1 Q04609 1/20 0.39

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
SCHEMBL9878949 0.86 DDT (0.49) DHODHDDTKDM4EKMT2AKMO
SCHEMBL28257327 0.85 HSD17B10 (0.52) DHODHHNF4AACMSDKDM4EGFER
SCHEMBL28048597 0.84 DHODH (0.52) DHODHHNF4AACMSDKDM4EGFER
SCHEMBL28096373 0.82 DDT (0.49) DHODHDDTKDM4EKMT2AKMO
SCHEMBL28080578 0.81 DHODH (0.42) DHODHDDTKDM4EKMOFOLH1
SCHEMBL3105473 0.79 CYP1A2 (0.64) DHODHKDM4EKMT2AKMORXRB
SCHEMBL29546558 0.79 DHODH (0.50) DHODHRXRBRXRA
SCHEMBL15814719 0.79 DHODH (0.69) DHODHKMORXRBRXRA
SCHEMBL16488615 0.79 DHODH (0.69) DHODHKMORXRBRXRA
Benzoic Acid SCHEMBL6250252 0.78 DAO (0.56) DDTHNF4AACMSDKDM4EKMO

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-114350207-A Fluorescent MOFs ink and preparation method and application thereof 西北大学 2022-04-15 CN disclosed