SCHEMBL25491026

SCHEMBL25491026

CC1(C)CCC(C)(C)c2cc(Nc3ccc(-c4cccc5ccccc45)cc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ RARB P10826 4/20 0.45
▸ RARG P13631 3/20 0.45
▸ RXRA P19793 1/20 0.45
▸ PPARG P37231 7/20 0.40
▸ PPARA Q07869 7/20 0.40
▸ RARA P10276 3/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP26A1 O43174 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ BLVRB P30043 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
SCHEMBL31375647 1.00 JAK2 (0.45) JAK2JAK3RARBRARGRXRA
SCHEMBL27310071 0.91 RARB (0.41) JAK2JAK3RARBRARGRXRA
SCHEMBL25911933 0.87 JAK2 (0.43) JAK2JAK3RARBRARGRXRA
SCHEMBL26306675 0.81 RAB9A (0.52) JAK2JAK3RARBRARGRARA
SCHEMBL27395067 0.81 ALDH1A1 (0.41) JAK2JAK3RARBRARGRXRA
SCHEMBL25491015 0.81 RARB (0.51) JAK2JAK3RARBRARGRXRA
SCHEMBL31375685 0.81 RARB (0.51) JAK2JAK3RARBRARGRXRA
SCHEMBL27395133 0.81 RARB (0.51) JAK2JAK3RARBRARGRXRA
SCHEMBL29407519 0.81 PDK2 (0.42) PPARGPPARAHDAC8HDAC6CYP2C9
SCHEMBL24742442 0.81 HDAC8 (0.39) PPARGPPARAHDAC8HDAC6CYP2C9

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-2023085670-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-05-19 — — WO disclosed
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