SCHEMBL8734318

SCHEMBL8734318

CC1(C)C=CC(C)(C)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
HTR2A P28223 2/20 0.36
HTR5A P47898 2/20 0.33
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
Benzene SCHEMBL5499330 0.97 PDK2 (0.36) PDK2PDK4HTR2AHTR5ATSHR
SCHEMBL29387054 0.75 KDM4E (0.39) PDK2PDK4KDM4EMAPT
SCHEMBL251287 0.75 KDM4E (0.39) PDK2PDK4KDM4EMAPT
Ammonia Solution, Strong SCHEMBL7086115 0.73 KDM4E (0.38) PDK2PDK4KDM4EMAPT
SCHEMBL24338265 0.72 PDK2 (0.40) PDK2PDK4HTR2AHTR5ATSHR
SCHEMBL1627657 0.72 HTR2A (0.48) PDK2PDK4HTR2AHTR5ATSHR
SCHEMBL29392540 0.72 HTR2A (0.48) PDK2PDK4HTR2AHTR5ATSHR
SCHEMBL29533669 0.72 PDK2 (0.40) PDK2PDK4HTR2AHTR5ATSHR
SCHEMBL28880724 0.72 PDK2 (0.40) PDK2PDK4HTR2AHTR5ATSHR
SCHEMBL11961640 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230329024-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-12 US disclosed
EP-0869782-A2 METHODS OF TREATMENT WITH COMPOUNDS HAVING RAR $g(a)? RECEPTOR SPECIFIC OR SELECTIVE ACTIVITY Vision Pharmaceuticals L.P. (US) 1998-10-14 EP disclosed
WO-1997024116-A2 METHODS OF TREATMENT WITH COMPOUNDS HAVING RARα RECEPTOR SPECIFIC OR SELECTIVE ACTIVITY VISION PHARMACEUTICALS L.P. (US) 1997-07-10 WO disclosed
US-4898864-A Bicyclic aromatic compounds, a process for their preparation and their use in cosmetics and human and veterinary medicine L'OREAL (FR) 1990-02-06 US disclosed
EP-0004914-B1 PROCESS FOR THE PRODUCTION OF COMPOUNDS USEFUL IN PERFUMERY INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-08-28 EP disclosed
US-4178311-A Process for the production of compounds useful in perfumery INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-12-11 US disclosed
EP-0004914-A1 Process for the production of compounds useful in perfumery INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-10-31 EP disclosed
US-4162256-A Process for the production of compounds useful in perfumery INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-07-24 US disclosed