SCHEMBL26308271

SCHEMBL26308271

COc1ccc(C(=O)Nc2ccc(-c3cc(C)c(NC(=O)c4ccc(OC)c(OC)c4)c(C)c3)cc2C)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.70
▸ ALDH1A1 P00352 5/20 0.55
▸ HPGD P15428 3/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ ABCB1 P08183 2/20 0.55
▸ KDM4E B2RXH2 3/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ PDE4D Q08499 3/20 0.53
▸ MAPT P10636 3/20 0.52
▸ CHEK1 O14757 1/20 0.52
▸ PIM1 P11309 1/20 0.52
▸ MAPK8 P45983 1/20 0.52
▸ CLK4 Q9HAZ1 1/20 0.52
▸ PDE4A P27815 1/20 0.51
▸ PDE4B Q07343 1/20 0.51
▸ PDE4C Q08493 1/20 0.51
▸ POLB P06746 2/20 0.50
▸ MEN1 O00255 1/20 0.50

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
SCHEMBL26307991 0.91 PKM (0.83) PKMALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL8761800 0.83 PKM (1.00) PKMALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL14424707 0.76 MAPT (0.58) ALDH1A1HPGDCYP1A2CYP2C19KDM4E
SCHEMBL13400966 0.75 MAPT (0.62) ALDH1A1HPGDCYP1A2CYP2C19KMT2A
SCHEMBL11244161 0.75 PDE4D (0.81) PKMALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL2818082 0.75 MAPT (0.53) PKMALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL14363233 0.74 TP53 (0.68) PKMALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL2979309 0.74 CA12 (0.64) PKMALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL2969970 0.74 KDM4E (0.67) PKMALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL13783367 0.73 ALDH1A1 (0.68) ALDH1A1HPGDCYP1A2CYP2C19KDM4E

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
WO-2023141467-A2 COMPOSITIONS, METHODS, AND DEVELOPMENT OF ARID4B INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2023-07-27 — — WO disclosed
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