SCHEMBL29173963

SCHEMBL29173963

CCCCOc1cc(C(=O)O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 4/20 0.47
▸ PLA2G2A P14555 1/20 0.47
▸ NR5A2 O00482 1/20 0.45
▸ NR5A1 Q13285 1/20 0.45
▸ TP53 P04637 2/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GLRA3 O75311 1/20 0.42
▸ GLRB P48167 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RARA P10276 1/20 0.42
▸ RARB P10826 1/20 0.42
▸ PLA2G4B P0C869 2/20 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
SCHEMBL11778040 0.87 GLRA3 (0.46) NR5A2NR5A1TP53TSHRGLRA3
SCHEMBL10990333 0.85 CA2 (0.55) PLA2G2ANR5A2NR5A1TP53TSHR
SCHEMBL30445393 0.81 TP53 (0.52) PTPN11PLA2G2ATP53MCL1TSHR
SCHEMBL4960116 0.81 TP53 (0.52) PTPN11PLA2G2ATP53MCL1TSHR
SCHEMBL15064805 0.80 CA2 (0.46) PLA2G2ANR5A2NR5A1GAAXBP1
SCHEMBL11779397 0.79 CNR1 (0.40) PTPN11PLA2G2A
SCHEMBL1086609 0.79 CA1 (0.52) PLA2G2ANR5A1TP53TSHR
SCHEMBL6693439 0.79 CA1 (0.52) PLA2G2ANR5A1TP53TSHR
SCHEMBL9999756 0.79 CA1 (0.52) PLA2G2ANR5A1TP53TSHR
SCHEMBL11776437 0.78 MEN1 (0.52) MCL1

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-116143610-A Substituent-containing zinc o-hydroxybenzoate complex nanomaterial, preparation method and application thereof 广西科技大学 2023-05-23 — — CN disclosed
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