SCHEMBL24908708

SCHEMBL24908708

CC(C)CC(C(=O)Oc1ccccc1)N1C(=O)c2cc(Oc3ccc(-c4ccccc4)cc3)c3c4c(Oc5ccc(-c6ccccc6)cc5)cc5c6c(cc(Oc7ccc(-c8ccccc8)cc7)c(c7c(Oc8ccc(-c9ccccc9)cc8)cc(c2c37)C1=O)c64)C(=O)N(C(CC(C)C)C(=O)Oc1ccccc1)C5=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 4/20 0.44
TP53 P04637 1/20 0.44
MCL1 Q07820 1/20 0.43
KMT2A Q03164 4/20 0.41
POLB P06746 1/20 0.41
BCL2 P10415 1/20 0.39
BCL2L2 Q92843 1/20 0.39
MEN1 O00255 3/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL24909317 0.94 ALDH1A1 (0.42) ALDH1A1KDM4EGLAHPGDMAPT
SCHEMBL24705465 0.91 MCL1 (0.48) ALDH1A1KDM4EGLAHPGDMAPT
SCHEMBL24705300 0.85 MAPT (0.46) ALDH1A1KDM4EGLAHPGDMAPT
SCHEMBL24704704 0.82 MAPT (0.40) ALDH1A1KDM4EGLAHPGDMAPT
SCHEMBL24909057 0.81 KMT2A (0.48) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL24705626 0.80 MCL1 (0.45) ALDH1A1MAPTTP53MCL1KMT2A
SCHEMBL24705029 0.80 ALDH1A1 (0.41) ALDH1A1MAPTTP53MCL1BCL2
SCHEMBL24909538 0.80 KMT2A (0.46) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL24705094 0.80 MCL1 (0.38) ALDH1A1KDM4EGLAHPGDMAPT
SCHEMBL24704901 0.80 GAA (0.40) ALDH1A1MAPTTP53MCL1BCL2

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-20230023648-A1 COMPOUND, PHOTOSENSITIVE FLUORESCENT RESIN COMPOSITION COMPRISING SAME, COLOR CONVERSION FILM PREPARED USING SAME, BACKLIGHT UNIT, AND DISPLAY DEVICE LG CHEM, LTD (KR) 2023-01-26 US disclosed