SCHEMBL23633176

SCHEMBL23633176

CC(C)(C)c1ccc(Oc2cc(Br)cc(Oc3ccc(C(C)(C)C)cc3)c2I)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ FGFR2 P21802 3/20 0.40
▸ APP P05067 1/20 0.39
▸ ICAM1 P05362 1/20 0.39
▸ SELE P16581 1/20 0.39
▸ SLC6A4 P31645 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36

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
SCHEMBL21480279 0.86 ALDH1A1 (0.48) ALDH1A1HPGDRAB9AMAPTNPC1
SCHEMBL23638971 0.84 ALDH1A1 (0.47) ALDH1A1HPGDRAB9AMAPTNPC1
SCHEMBL25586333 0.80 MAPT (0.43) ALDH1A1HPGDRAB9AMAPTNPC1
SCHEMBL13580946 0.77 ALOX15 (0.47) ALDH1A1HPGDRAB9AMAPTNPC1
SCHEMBL29484950 0.76 SCN8A (0.33) ICAM1SELE
SCHEMBL11608881 0.75 MAPT (0.63) ALDH1A1HPGDRAB9AMAPTNPC1
SCHEMBL27018957 0.75 RAB9A (0.53) ALDH1A1HPGDRAB9AMAPTNPC1
SCHEMBL13580943 0.73 SLC6A4 (0.46) ALDH1A1HPGDRAB9AMAPTNPC1
SCHEMBL13580771 0.73 ALDH1A1 (0.42) ALDH1A1HPGDRAB9AMAPTNPC1
SCHEMBL26256982 0.73 MAPT (0.50) ALDH1A1HPGDRAB9AMAPTNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021141370-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME 경상국립대학교산학협력단 2021-07-15 — — WO disclosed
WO-2021141370-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME 경상국립대학교산학협력단 2021-07-15 — — WO disclosed
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