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SCHEMBL24739714

SCHEMBL24739714

C=C(C)C(=O)OCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCOC(=O)C(=C)C)cc5)c5c6c(Oc7ccc(CCOC(=O)C(=C)C)cc7)cc7c8c(cc(Oc9ccc(CCOC(=O)C(=C)C)cc9)c(c2c45)c86)C(=O)N(C(CC(C)C)C(=O)OC2CCCCC2)C7=O)C(=O)N(C(CC(C)C)C(=O)OC2CCCCC2)C3=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ACACB O00763 1/20 0.30
▸ ACACA Q13085 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30

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
SCHEMBL24739798 0.87 MCL1 (0.38) KDM4EALDH1A1GLAHPGDTP53
SCHEMBL24739654 0.86 MAPT (0.37) KDM4EALDH1A1GLAHPGDTP53
SCHEMBL24740234 0.86 APP (0.34) KDM4EALDH1A1HPGDACACB
SCHEMBL24740707 0.84 THRB (0.37) KDM4EALDH1A1GLAHPGDTP53
SCHEMBL24739989 0.84 MAPT (0.40) KDM4EALDH1A1GLAHPGDTP53
SCHEMBL24908707 0.84 ALDH1A1 (0.37) KDM4EALDH1A1GLAHPGDTP53
SCHEMBL24739639 0.84 MAPT (0.39) KDM4EALDH1A1GLAHPGDTP53
SCHEMBL24739990 0.84 ALDH1A1 (0.36) KDM4EALDH1A1GLAHPGDTP53
SCHEMBL24705772 0.82 ALDH1A1 (0.36) KDM4EALDH1A1GLAHPGDTP53
SCHEMBL24740009 0.82 MAPT (0.30) MAPT

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
US-20220390841-A1 COMPOUND, PHOTOSENSITIVE FLUORESCENT RESIN COMPOSITION COMPRISING SAME, COLOR CONVERSION FILM, BACKLIGHT UNIT, AND DISPLAY DEVICE LG CHEM, LTD. (KR) 2022-12-08 — — US disclosed