SCHEMBL30397196

SCHEMBL30397196

COc1cc(Cl)c(Cl)c2[nH]c(C(=O)O)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
HPGD P15428 2/20 0.63
RHEB Q15382 4/20 0.61
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
IDO1 P14902 4/20 0.48
TDO2 P48775 4/20 0.48
EIF4A3 P38919 2/20 0.45
GRIN1 Q05586 1/20 0.43
DAO P14920 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 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
SCHEMBL29015467 0.87 GAA (0.50) KDM4EHPGDRHEBLMNAIDO1
SCHEMBL24112536 0.85 KDM4E (0.60) KDM4EHPGDRHEBALDH1A1LMNA
SCHEMBL1144591 0.82 KDM4E (0.77) KDM4EHPGDRHEBALDH1A1LMNA
SCHEMBL3335123 0.78 KDM4E (0.67) KDM4EHPGDRHEBALDH1A1LMNA
SCHEMBL3602542 0.78 KDM4E (1.00) KDM4EHPGDALDH1A1LMNAIDO1
SCHEMBL29824959 0.78 KDM4E (1.00) KDM4EHPGDALDH1A1LMNAIDO1
SCHEMBL20536128 0.76 RHEB (1.00) KDM4EHPGDRHEBKMT2A
SCHEMBL20505539 0.76 KDM4E (0.63) KDM4EHPGDALDH1A1LMNAIDO1
SCHEMBL24020641 0.74 RHEB (0.64) KDM4EHPGDRHEBLMNAIDO1
SCHEMBL1144735 0.74 KDM4E (0.79) KDM4EHPGDRHEBALDH1A1LMNA

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-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 CN disclosed
EP-4165037-A1 ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS Aligos Therapeutics, Inc. (US) 2023-04-19 EP disclosed