SCHEMBL29945232

SCHEMBL29945232

CC1(C)CCC(C)(C)c2cc(Nc3cc4c(cc3-c3ccccc3)C(C)(C)CCC4(C)C)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 12/20 0.46
▸ RARG P13631 11/20 0.46
▸ RXRA P19793 5/20 0.46
▸ RARA P10276 11/20 0.43
▸ CYP26A1 O43174 5/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PGR P06401 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ BLVRB P30043 1/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL23442800 1.00 RARB (0.46) RARBRARGRXRARARACYP26A1
SCHEMBL24442807 0.90 RARB (0.43) RARBRARGRXRARARACYP26A1
SCHEMBL26722851 0.86 RARB (0.40) RARBRARGRXRARARACYP26A1
SCHEMBL23442477 0.85 NPSR1 (0.47) RARBRARGRXRAMEN1KMT2A
SCHEMBL23118193 0.84 ABCG2 (0.39) RARBRARGRXRARARACYP26A1
SCHEMBL23445678 0.84 RARA (0.40) RARBRARGRXRARARACYP26A1
SCHEMBL22934074 0.83 CYP26A1 (0.40) RARBRARGRXRARARACYP26A1
SCHEMBL31375685 0.82 RARB (0.51) RARBRARGRXRARARACYP26A1
SCHEMBL25491015 0.82 RARB (0.51) RARBRARGRXRARARACYP26A1
SCHEMBL27395133 0.82 RARB (0.51) RARBRARGRXRARARACYP26A1

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
CN-113366002-B Compound and organic light emitting device including the same 株式会社LG化学 2022-09-27 — — CN disclosed
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