SCHEMBL30768209

SCHEMBL30768209

CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1.ClI

nearest known ligand 0.93

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EYA3 Q99504 4/20 0.93
PTPN1 P18031 2/20 0.93
SLC22A12 Q96S37 1/20 0.70
CYP2C9 P11712 2/20 0.67
TTR P02766 1/20 0.66
NR1H4 Q96RI1 1/20 0.64
KDM5A P29375 2/20 0.61
KDM7A Q6ZMT4 1/20 0.61
SIRT3 Q9NTG7 6/20 0.60
THRA P10827 2/20 0.58
THRB P10828 2/20 0.58
KDM4A O75164 1/20 0.57
ING2 Q9H160 1/20 0.57
CYP2C19 P33261 1/20 0.56

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
SCHEMBL1287970 0.96 EYA3 (1.00) EYA3PTPN1SLC22A12CYP2C9TTR
SCHEMBL5419199 0.93 EYA3 (0.93) EYA3PTPN1SLC22A12CYP2C9TTR
SCHEMBL11840583 0.89 EYA3 (0.85) EYA3PTPN1SLC22A12CYP2C9TTR
SCHEMBL31314614 0.88 EYA3 (0.79) EYA3PTPN1TTRNR1H4KDM5A
SCHEMBL31314615 0.88 EYA3 (0.79) EYA3PTPN1TTRNR1H4KDM5A
SCHEMBL25389924 0.87 EYA3 (0.82) EYA3PTPN1SLC22A12TTRNR1H4
SCHEMBL28849127 0.86 EYA3 (0.81) EYA3PTPN1SLC22A12TTRNR1H4
SCHEMBL27992957 0.86 EYA3 (0.80) EYA3PTPN1TTRNR1H4KDM5A
SCHEMBL31314577 0.85 EYA3 (0.79) EYA3PTPN1SLC22A12TTRNR1H4
SCHEMBL3863077 0.85 EYA3 (0.79) EYA3PTPN1SLC22A12TTRNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567410-A Preparation method of amiodarone hydrochloride for regulating heart rhythm 山东科巢生物制药有限公司 2024-02-20 CN claimed
CN-117567410-A Preparation method of amiodarone hydrochloride for regulating heart rhythm 山东科巢生物制药有限公司 2024-02-20 CN disclosed