SCHEMBL28382995

SCHEMBL28382995

C1CCC([SnH](C2CCCCC2)C2CCCCC2)CC1.O=C(O)c1cc(Cl)cnc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ASPH Q12797 1/20 0.38
RIOX2 Q8IUF8 1/20 0.38
KDM8 Q8N371 1/20 0.38
KDM6B O15054 1/20 0.37
KDM4A O75164 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
KDM3B Q7LBC6 1/20 0.37
HIF1AN Q9NWT6 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
KDM5B Q9UGL1 3/20 0.36
KDM5A P29375 2/20 0.36
DHODH Q02127 1/20 0.36
ACMSD Q8TDX5 2/20 0.35
SERPINE1 P05121 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35

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
SCHEMBL329752 0.82 CA1 (0.48) KDM4EASPHKDM8DHODHCA1
SCHEMBL28423253 0.74 NAPRT (0.50) KDM4EASPHKDM8KDM5BKDM5A
SCHEMBL11471405 0.71 CNR1 (0.47) OPRK1IP6K1
SCHEMBL11472242 0.71 RHEB (0.46) KDM4EASPHRIOX2KDM8KDM6B
SCHEMBL28382994 0.71 OPRK1 (0.37) OPRK1
4-Chloro-Benzoic Acid SCHEMBL28417247 0.71 TSHR (0.59) KDM4E
SCHEMBL11463519 0.70 IP6K1 (0.46) OPRK1IP6K1
SCHEMBL21464263 0.69 SERPINE1 (0.39) OPRK1KDM4EKDM5BKDM5ADHODH
SCHEMBL23119586 0.68 DHODH (0.41) OPRK1KDM5BKDM5ADHODHCA1
SCHEMBL11284902 0.67 OPRK1 (0.48) OPRK1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111057095-A Tricyclohexyltin 5-chloro-2-hydroxypyridine-3-formate complex and preparation method and application thereof 衡阳师范学院 2020-04-24 CN claimed
CN-111057095-B Tricyclohexyltin 5-chloro-2-hydroxypyridine-3-formate complex and preparation method and application thereof 衡阳师范学院 2023-07-28 CN disclosed
CN-111057095-A Tricyclohexyltin 5-chloro-2-hydroxypyridine-3-formate complex and preparation method and application thereof 衡阳师范学院 2020-04-24 CN disclosed