SCHEMBL6603732

SCHEMBL6603732

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

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.63
PPARG P37231 15/20 0.63
RARG P13631 7/20 0.56
RXRB P28702 4/20 0.45
RXRG P48443 4/20 0.45
RARA P10276 3/20 0.45
RARB P10826 3/20 0.45
NR5A2 O00482 1/20 0.40
NR5A1 Q13285 1/20 0.40

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
SCHEMBL6606079 1.00 RXRA (0.63) RXRAPPARGRARGRXRBRXRG
SCHEMBL6060453 0.88 RXRA (0.80) RXRAPPARGRARGRXRBRXRG
SCHEMBL7745973 0.88 RXRA (0.80) RXRAPPARGRARGRXRBRXRG
SCHEMBL7745977 0.88 RXRA (0.80) RXRAPPARGRARGRXRBRXRG
SCHEMBL6606945 0.81 RXRA (0.61) RXRAPPARGRARGRXRBRXRG
SCHEMBL6605468 0.81 RXRA (0.68) RXRAPPARGRARGRXRBRXRG
SCHEMBL4135046 0.78 RXRA (0.81) RXRAPPARGRARGRXRBRXRG
SCHEMBL4135043 0.78 RXRA (0.81) RXRAPPARGRARGRXRBRXRG
SCHEMBL4135030 0.78 RXRA (0.81) RXRAPPARGRARGRXRBRXRG
SCHEMBL6449663 0.78 RXRA (0.66) 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 3 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
US-6326397-B1 OSTEOPOROSIS HOFFMAN-LA ROCHE INC. 2001-12-04 US disclosed