SCHEMBL24739715

SCHEMBL24739715

COc1ccccc1OC(=O)C(Cc1ccncc1)N1C(=O)c2cc(Oc3cccc(-c4cccc(C(=O)O)c4)c3)c3c4c(Oc5cccc(-c6cccc(C(=O)O)c6)c5)cc5c6c(cc(Oc7cccc(-c8cccc(C(=O)O)c8)c7)c(c7c(Oc8cccc(-c9cccc(C(=O)O)c9)c8)cc(c2c37)C1=O)c64)C(=O)N(C(Cc1ccncc1)C(=O)Oc1ccccc1OC)C5=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
PPARG P37231 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
HSD11B1 P28845 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
EPHX1 P07099 1/20 0.35
PTPN11 Q06124 1/20 0.34
AURKA O14965 1/20 0.34

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
SCHEMBL24739716 0.87 AURKA (0.37) KMT2AALDH1A1SMN1; SMN2EPHX1AURKA
SCHEMBL24909538 0.78 KMT2A (0.46) L3MBTL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL24740746 0.78 MAPT (0.42) L3MBTL1KMT2AMEN1ALDH1A1LMNA
SCHEMBL24740008 0.77 AURKA (0.35) L3MBTL1ALDH1A1TSHRSMN1; SMN2EPHX1
SCHEMBL24739732 0.76 GPR132 (0.39) ALDH1A1TSHRMAPTHSD11B1EPHX1
SCHEMBL24739621 0.73 POLB (0.38) L3MBTL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL24705209 0.73 ALDH1A1 (0.40) L3MBTL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL24740747 0.73 MAPT (0.41) L3MBTL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL24908973 0.72 HSD11B1 (0.45) L3MBTL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL24909057 0.70 KMT2A (0.48) L3MBTL1KMT2AMEN1ALDH1A1TSHR

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