SCHEMBL25911933

SCHEMBL25911933

CC1(C)CCC(C)(C)c2cc(Nc3ccc(-c4cc5ccccc5c5ccccc45)cc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ RARB P10826 10/20 0.42
▸ RARG P13631 9/20 0.42
▸ RXRA P19793 3/20 0.42
▸ RARA P10276 11/20 0.37
▸ CYP26A1 O43174 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PGR P06401 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ BLVRB P30043 1/20 0.37
▸ HNF4A P41235 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 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
SCHEMBL25491026 0.87 JAK2 (0.45) JAK2JAK3RARBRARGRXRA
SCHEMBL31375647 0.87 JAK2 (0.45) JAK2JAK3RARBRARGRXRA
SCHEMBL27395133 0.81 RARB (0.51) JAK2JAK3RARBRARGRXRA
SCHEMBL25491015 0.81 RARB (0.51) JAK2JAK3RARBRARGRXRA
SCHEMBL31375685 0.81 RARB (0.51) JAK2JAK3RARBRARGRXRA
SCHEMBL29926129 0.80 CYP11B1 (0.49) CYP3A4MEN1KMT2ACYP11B1ALDH1A1
SCHEMBL20462477 0.80 CYP11B1 (0.49) CYP3A4MEN1KMT2ACYP11B1ALDH1A1
SCHEMBL19743220 0.80 PDK2 (0.41) CYP3A4MEN1KMT2APGRCYP11B1
SCHEMBL26006715 0.79 RARB (0.50) RARBRARGRXRARARACYP26A1
SCHEMBL27310071 0.79 RARB (0.41) JAK2JAK3RARBRARGRXRA

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-2023146343-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-08-03 — — WO disclosed
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