SCHEMBL22936577

SCHEMBL22936577

CC(C)(C)c1ccc2oc3c(Nc4ccc5c(c4)C(C)(C)CCC5(C)C)cccc3c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 6/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ RARA P10276 2/20 0.34
▸ RARB P10826 2/20 0.34
▸ RARG P13631 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PGR P06401 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ BLVRB P30043 1/20 0.34
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ CYP26B1 Q9NR63 3/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ HPGD P15428 2/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL22934102 0.87 ALDH1A1 (0.38) CYP26A1MEN1CYP3A4RARARARB
SCHEMBL23439313 0.86 ALDH1A1 (0.36) CYP26A1RXRACYP26B1ALDH1A1MAPT
SCHEMBL25810324 0.81 MEN1 (0.35) CYP26A1MEN1CYP3A4RARARARB
SCHEMBL23439495 0.80 RXRA (0.33) CYP26A1MEN1CYP3A4RARARARB
SCHEMBL23567557 0.80 ALDH1A1 (0.38) MEN1KMT2APGRALDH1A1HPGD
SCHEMBL23439057 0.78 CYP26A1 (0.39) CYP26A1MEN1KMT2ARXRARXRB
SCHEMBL31069403 0.77 ABCG2 (0.30) —
SCHEMBL23438785 0.77 ABCG2 (0.30) —
SCHEMBL22938422 0.76 ALDH1A1 (0.38) CYP26A1MEN1CYP3A4RARARARB
SCHEMBL23439324 0.75 CYP26A1 (0.42) CYP26A1MEN1CYP3A4RARARARB

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-2021020931-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-02-04 — — WO disclosed
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