SCHEMBL27395067

SCHEMBL27395067

CC1(C)CCC(C)(C)c2c(Nc3ccc(-c4cccc5ccccc45)cc3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 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
SCHEMBL27395102 0.90 RAB9A (0.39) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL31375644 0.83 RARB (0.40) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL25491148 0.83 RARB (0.40) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL25569292 0.82 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL26306829 0.81 CYP3A4 (0.46) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL25491026 0.81 JAK2 (0.45) ALDH1A1CYP3A4RAB9AHDAC8HDAC6
SCHEMBL31375647 0.81 JAK2 (0.45) ALDH1A1CYP3A4RAB9AHDAC8HDAC6
SCHEMBL26006466 0.79 MEN1 (0.46) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL29407500 0.78 HSD17B10 (0.67) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL13367391 0.78 HSD17B10 (0.67) ALDH1A1TP53CYP3A4HPGDALOX15

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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