SCHEMBL23439466

SCHEMBL23439466

C/C(S)=C(/C)Nc1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 18/20 0.38
▸ RXRB P28702 11/20 0.37
▸ RXRG P48443 11/20 0.37
▸ RARG P13631 5/20 0.37
▸ RARB P10826 4/20 0.37
▸ RARA P10276 4/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ CYP26A1 O43174 3/20 0.36
▸ CYP26B1 Q9NR63 3/20 0.36
▸ 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
SCHEMBL21568077 0.78 RXRA (0.47) RXRARXRBRXRGRARGRARB
SCHEMBL23927691 0.75 RXRA (0.41) RXRARXRBRXRGRARGRARB
SCHEMBL26592538 0.73 RXRA (0.44) RXRARXRBRXRGRARGRARB
SCHEMBL7622765 0.70 RXRA (0.48) RXRARXRBRXRGRARGRARB
SCHEMBL8459822 0.69 RARB (0.65) RXRARXRBRXRGRARGRARB
SCHEMBL28481448 0.66 EGFR (0.42) RXRARXRBRXRGRARGRARB
SCHEMBL23371572 0.66 CYP26A1 (0.44) RXRARXRBRXRGRARGRARB
SCHEMBL6477255 0.65 RXRA (0.42) RXRARXRBRXRGRARGRARB
SCHEMBL6224470 0.65 RXRA (0.46) RXRARXRBRXRGRARGRARB
SCHEMBL330467 0.65 KCNMA1 (0.57) MEN1ADRA2ABLMKMT2A

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
Send feedback