SCHEMBL27310134

SCHEMBL27310134

CC1(C)CCC(C)(C)c2cc(Nc3cccc(-c4ccc5ccccc5c4)c3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 10/20 0.47
▸ RARA P10276 9/20 0.47
▸ RARG P13631 9/20 0.47
▸ CYP3A4 P08684 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CNR1 P21554 1/20 0.42
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ CYP26A1 O43174 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ RXRA P19793 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ BLVRB P30043 1/20 0.38

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
SCHEMBL27395186 0.89 RARA (0.54) RARBRARARARGCYP3A4ALDH1A1
SCHEMBL26306822 0.88 RARB (0.52) RARBRARARARGCYP3A4ALDH1A1
SCHEMBL26306683 0.87 CYP3A4 (0.53) RARBRARARARGCYP3A4ALDH1A1
SCHEMBL27395129 0.85 RARB (0.57) RARBRARARARGCYP3A4ALDH1A1
SCHEMBL26306083 0.85 RARA (0.56) RARBRARARARGCYP3A4ALDH1A1
SCHEMBL27394930 0.83 ALDH1A1 (0.41) RARBRARARARGCYP3A4ALDH1A1
SCHEMBL9359619 0.83 RARB (0.63) RARBRARARARGHSD17B1HSD17B2
SCHEMBL27310071 0.82 RARB (0.41) RARBRARARARGCYP3A4ALDH1A1
SCHEMBL25491015 0.82 RARB (0.51) RARBRARARARGCYP3A4ALDH1A1
SCHEMBL31375685 0.82 RARB (0.51) RARBRARARARGCYP3A4ALDH1A1

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-2024039222-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME 주식회사 엘지화학 2024-02-22 — — WO disclosed
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