SCHEMBL29068263

SCHEMBL29068263

CC(C)c1cccc(-c2cc(C(C)C)ccc2C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
LMNA P02545 1/20 0.44
NR4A2 P43354 1/20 0.41
PTPN5 P54829 3/20 0.40
HDAC4 P56524 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MDM4 O15151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
TYR P14679 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL9876285 0.86 RXRA (0.46) RXRARXRBRXRGLMNANR4A2
SCHEMBL3293062 0.86 LMNA (0.45) RXRARXRBRXRGLMNAPTPN5
SCHEMBL21409737 0.86 MAOA (0.41) LMNAPTPN5KDM4EALDH1A1CYP3A4
SCHEMBL21508004 0.86 RXRA (0.41) RXRARXRBRXRGLMNANR4A2
SCHEMBL8675449 0.85 RXRA (0.45) RXRARXRBRXRGLMNANR4A2
SCHEMBL29727254 0.85 TRPA1 (0.46) RXRARXRBRXRGLMNANR4A2
SCHEMBL8635916 0.85 TRPA1 (0.46) RXRARXRBRXRGLMNANR4A2
SCHEMBL26804779 0.83 CYP1A2 (0.46) RXRARXRBRXRGHDAC4HDAC8
SCHEMBL9171540 0.81 RXRA (0.42) RXRARXRBRXRGLMNANR4A2
SCHEMBL9177215 0.79 RXRA (0.50) RXRARXRBRXRGLMNANR4A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117296468-A Composition for organic electroluminescent element, display device, and lighting device 三菱化学株式会社 2023-12-26 CN disclosed
CN-116670252-A Composition for organic electroluminescent element, display device, and lighting device 三菱化学株式会社 2023-08-29 CN disclosed
WO-2022149519-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND ILLUMINATOR 三菱ケミカル株式会社 2022-07-14 WO disclosed