SCHEMBL24468248

SCHEMBL24468248

COCCOc1ccc(C(C)(C)c2ccc(OCCOC(C)=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MEN1 O00255 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ AR P10275 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ HTT P42858 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ PSMB1 P20618 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ PSMB2 P49721 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 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
SCHEMBL11889494 0.94 AR (0.53) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL10656932 0.89 AR (0.50) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL14962791 0.88 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL26113771 0.88 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL12515792 0.88 AR (0.49) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL12516025 0.87 AR (0.54) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL15723550 0.85 SMN1; SMN2 (0.56) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL29944931 0.84 SMN1; SMN2 (0.57) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL20892205 0.83 THRB (0.58) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL14085624 0.82 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2LMNAMEN1

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-2022112943-A1 POLYCARBONATE AND COMPOSITIONS AND ARTICLES COMPRISING THE POLYCARBONATE SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2022-06-02 — — WO disclosed
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