SCHEMBL24562730

SCHEMBL24562730

Bc1ccc(O)cc1Nc1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 14/20 0.36
▸ RXRB P28702 6/20 0.36
▸ RXRG P48443 6/20 0.36
▸ RARA P10276 2/20 0.36
▸ RARB P10826 2/20 0.36
▸ RARG P13631 2/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ CYP26A1 O43174 2/20 0.35
▸ RECQL P46063 2/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL24564122 0.81 RARB (0.42) RXRARXRBRXRGRARARARB
SCHEMBL23927691 0.80 RXRA (0.41) RXRARXRBRXRGRARARARB
SCHEMBL26599592 0.77 RXRA (0.33) RXRARXRBRXRGRARARARB
SCHEMBL24562714 0.74 RXRA (0.34) RXRARXRBRXRGRARARARB
SCHEMBL28481448 0.70 EGFR (0.42) RXRARXRBRXRGRARARARB
SCHEMBL23371572 0.70 CYP26A1 (0.44) RXRARXRBRXRGRARARARB
SCHEMBL23439405 0.70 CYP26A1 (0.42) RXRARXRBRXRGRARARARB
SCHEMBL14425218 0.69 CYP26A1 (0.40) RXRARXRBRXRGRARARARB
SCHEMBL26592538 0.68 RXRA (0.44) RXRARXRBRXRGRARARARB
SCHEMBL1360287 0.68 RXRA (0.49) RXRARXRBRXRGRARARARB

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-2022139513-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-06-30 — — WO disclosed
Send feedback