SCHEMBL4440994

SCHEMBL4440994

CC1(C)CCC(C)(C)c2cc(CC=O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.56
RARB P10826 3/20 0.56
RARG P13631 3/20 0.56
RXRA P19793 7/20 0.54
RXRB P28702 5/20 0.54
RXRG P48443 3/20 0.54
CYP26A1 O43174 7/20 0.51
CYP26B1 Q9NR63 7/20 0.51
PPARG P37231 2/20 0.43
CYP3A4 P08684 1/20 0.42

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
SCHEMBL11245647 0.89 RARA (0.46) RARARARBRARGRXRARXRB
SCHEMBL8795908 0.84 CYP26B1 (0.51) RARARARBRARGRXRARXRB
SCHEMBL11648365 0.84 RARA (0.51) RARARARBRARGRXRARXRB
SCHEMBL6431035 0.84 RARA (0.51) RARARARBRARGRXRARXRB
SCHEMBL18740982 0.82 RARA (0.41) RARARARBRARGRXRARXRB
Formaldehyde SCHEMBL9052614 0.82 RARA (0.44) RARARARBRARGRXRARXRB
SCHEMBL18741112 0.81 ESR2 (0.41) RARARARBRARGRXRARXRB
SCHEMBL8330612 0.80 RARA (0.58) RARARARBRARGRXRARXRB
SCHEMBL6017346 0.80 RXRA (0.39) RARARARBRARGRXRARXRB
SCHEMBL7143189 0.79 CYP26B1 (0.47) RARARARBRARGRXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152190-A1 18-20 MEMBER BI-POLYCYCLIC COMPOUNDS Haro Pharmaceutical Inc. (US) 2017-04-12 EP disclosed
WO-2015188015-A1 18-20 MEMBER BI-POLYCYCLIC COMPOUNDS HARO PHARMACEUTICAL INC. (US) 2015-12-10 WO disclosed
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed
EP-1704139-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RAR y RETINOID RECEPTORS Allergan, Inc. (US) 2006-09-27 EP disclosed
WO-2005066116-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RARϜ RETINOID RECEPTORS ALLERGAN, INC. (US) 2005-07-21 WO disclosed
US-4326055-A ANTITUMOR AGENTS, SKIN DISORDERS, RHEUMATIC DISEASES HOFFMANN-LA ROCHE INC. (US) 1982-04-20 US disclosed