SCHEMBL23439495

SCHEMBL23439495

CC(C)(C)c1ccc2oc3ccc(Nc4cc5c(cc4C(C)(C)C)C(C)(C)CCC5(C)C)cc3c2c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.33
▸ PON1 P27169 1/20 0.33
▸ CYP26A1 O43174 3/20 0.33
▸ CYP26B1 Q9NR63 2/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ RXRB P28702 1/20 0.30
▸ KIF11 P52732 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ RARA P10276 1/20 0.30
▸ RARB P10826 1/20 0.30
▸ RARG P13631 1/20 0.30
▸ TBXA2R P21731 1/20 0.30
▸ BLVRB P30043 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL23439057 0.88 CYP26A1 (0.39) RXRAPON1CYP26A1CYP26B1RXRB
SCHEMBL23422190 0.83 CYP26A1 (0.38) RXRAPON1CYP26A1CYP26B1
SCHEMBL22936577 0.80 CYP26A1 (0.34) RXRAPON1CYP26A1CYP26B1PTGS1
SCHEMBL26000651 0.80 PON1 (0.40) RXRAPON1CYP26A1CYP26B1RXRB
SCHEMBL23439063 0.79 ALDH1A1 (0.33) RXRACYP26A1CYP26B1PTGS1PTGS2
SCHEMBL31069376 0.79 ALDH1A1 (0.33) RXRACYP26A1CYP26B1PTGS1PTGS2
SCHEMBL23439365 0.77 CYP26A1 (0.32) RXRACYP26A1CYP26B1PTGS1PTGS2
SCHEMBL23439428 0.76 RXRA (0.34) RXRACYP26A1CYP26B1RXRBMEN1
SCHEMBL23439313 0.75 ALDH1A1 (0.36) RXRAPON1CYP26A1CYP26B1
SCHEMBL24562625 0.74 ALDH1A1 (0.38) MEN1PGRKMT2A

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-2021107711-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-06-03 — — WO disclosed
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