SCHEMBL27395102

SCHEMBL27395102

CC1(C)CCC(C)(C)c2c(-c3ccc(Nc4ccccc4-c4cccc5ccccc45)cc3)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ RXRA P19793 2/20 0.33
▸ RARB P10826 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL27395067 0.90 ALDH1A1 (0.41) RAB9AALDH1A1TP53CYP3A4HPGD
SCHEMBL27395213 0.82 RARB (0.49) ALDH1A1TP53CYP3A4TSHRJAK2
SCHEMBL24910923 0.80 CDC25B (0.55) RAB9AALDH1A1TP53CYP3A4HPGD
SCHEMBL29830213 0.80 CDC25B (0.55) RAB9AALDH1A1TP53CYP3A4HPGD
SCHEMBL21905509 0.79 CDC25B (0.53) RAB9AALDH1A1TP53CYP3A4HPGD
SCHEMBL30035585 0.79 CDC25B (0.53) RAB9AALDH1A1TP53CYP3A4HPGD
SCHEMBL347485 0.79 ALDH1A1 (0.56) RAB9AALDH1A1TP53CYP3A4HPGD
SCHEMBL4579833 0.77 ALDH1A1 (0.62) RAB9AALDH1A1TP53CYP3A4HPGD
SCHEMBL27395277 0.77 JAK2 (0.34) JAK2JAK3RXRARARBRARG
SCHEMBL31375647 0.77 JAK2 (0.45) RAB9AALDH1A1CYP3A4JAK2JAK3

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-2024096578-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE HAVING SAME 덕산네오룩스 주식회사 2024-05-10 — — WO disclosed
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