SCHEMBL29227158

SCHEMBL29227158

OCCCc1c(OCc2ccc(F)cc2)ccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.62
▸ KMT2A Q03164 8/20 0.55
▸ MEN1 O00255 7/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ PRMT5 O14744 3/20 0.53
▸ WDR77 Q9BQA1 3/20 0.53
▸ NPBWR1 P48145 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ PTGER1 P34995 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
SCHEMBL30873570 0.92 LMNA (0.65) LMNAKMT2AMEN1KDM4EPRMT5
SCHEMBL29227153 0.87 PRMT5 (0.53) LMNAKMT2AMEN1KDM4EPRMT5
SCHEMBL29227148 0.87 LMNA (0.62) LMNAKMT2AMEN1KDM4EPRMT5
SCHEMBL29227248 0.81 PRMT5 (0.79) LMNAKMT2AMEN1KDM4EPRMT5
SCHEMBL29227124 0.79 MC4R (0.61) LMNAKMT2AMEN1KDM4E
SCHEMBL29227187 0.79 PRMT5 (0.55) LMNAKMT2AMEN1KDM4EPRMT5
SCHEMBL29227190 0.78 LMNA (0.64) LMNAKMT2AMEN1KDM4EPRMT5
SCHEMBL29227169 0.78 LMNA (0.60) LMNAKMT2AMEN1KDM4EPRMT5
SCHEMBL30873550 0.77 LMNA (0.57) LMNAKMT2AMEN1KDM4EMAPT
SCHEMBL20379584 0.76 LMNA (0.67) LMNAKMT2AMEN1KDM4EPRMT5

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-117946031-A Substituted aromatic phenol derivatives of KNa1.1 channel inhibitors 北京大学 2024-04-30 — — CN disclosed
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