SCHEMBL6605468

SCHEMBL6605468

CCCCOc1c(/C(C)=C\C=O)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.68
PPARG P37231 15/20 0.68
RARG P13631 7/20 0.60
RXRB P28702 4/20 0.47
RXRG P48443 4/20 0.47
RARA P10276 3/20 0.47
RARB P10826 3/20 0.47
NR5A2 O00482 1/20 0.41
NR5A1 Q13285 1/20 0.41

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
SCHEMBL6606945 0.83 RXRA (0.61) RXRAPPARGRARGRXRBRXRG
SCHEMBL8438382 0.82 RXRA (0.47) RXRAPPARGRARGRXRBRXRG
SCHEMBL6707048 0.81 RXRA (0.70) RXRAPPARGRARGRXRBRXRG
SCHEMBL6707051 0.81 RXRA (0.70) RXRAPPARGRARGRXRBRXRG
SCHEMBL4138525 0.81 RXRA (1.00) RXRAPPARGRARGRXRBRXRG
SCHEMBL726354 0.81 RXRA (1.00) RXRAPPARGRARGRXRBRXRG
SCHEMBL29568747 0.81 RXRA (1.00) RXRAPPARGRARGRXRBRXRG
SCHEMBL4138521 0.81 RXRA (1.00) RXRAPPARGRARGRXRBRXRG
SCHEMBL6606079 0.81 RXRA (0.63) RXRAPPARGRARGRXRBRXRG
SCHEMBL6603732 0.81 RXRA (0.63) RXRAPPARGRARGRXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161410-B1 RETINOID ANTAGONISTS AND USE THEREOF BASILEA PHARMACEUTICA AG (CH) 2004-05-12 EP disclosed
CN-1337931-A Retinoid antagonists and use thereof DASLIA PHARMACEUTICAL CO LTD (CH) 2002-02-27 CN disclosed
EP-1161410-A1 RETINOID ANTAGONISTS AND USE THEREOF Basilea Pharmaceutica AG (CH) 2001-12-12 EP disclosed
US-6326397-B1 OSTEOPOROSIS HOFFMAN-LA ROCHE INC. 2001-12-04 US disclosed
WO-2000053562-A1 RETINOID ANTAGONISTS AND USE THEREOF BASILEA PHARMACEUTICA AG (CH) 2000-09-14 WO disclosed