SCHEMBL7921794

SCHEMBL7921794

CCCCOc1c(CC=O)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.50
PPARG P37231 10/20 0.50
RARG P13631 5/20 0.43
RXRB P28702 3/20 0.39
RXRG P48443 3/20 0.39
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36
RARA P10276 2/20 0.33
RARB P10826 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL4734116 0.87 RXRA (0.47) RXRAPPARGRARGRXRBRXRG
SCHEMBL6605721 0.81 RXRA (0.48) RXRAPPARGRARGRXRBRXRG
SCHEMBL4736076 0.80 RXRA (0.40) RXRAPPARGRARGRXRBRXRG
SCHEMBL7921786 0.80 RXRA (0.47) RXRAPPARGRARGRXRBRXRG
SCHEMBL14594240 0.79 RXRA (0.47) RXRAPPARGRARGRXRBRXRG
SCHEMBL6605468 0.78 RXRA (0.68) RXRAPPARGRARGRXRBRXRG
SCHEMBL6473245 0.76 RXRA (0.46) RXRAPPARGRARGRXRBRXRG
SCHEMBL4862938 0.76 RXRA (0.46) RXRAPPARGRARGRXRBRXRG
SCHEMBL4860379 0.75 RXRA (0.47) RXRAPPARGRARGRXRBRXRG
SCHEMBL6606945 0.74 RXRA (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161410-A1 RETINOID ANTAGONISTS AND USE THEREOF Basilea Pharmaceutica AG (CH) 2001-12-12 EP disclosed
WO-2000053562-A1 RETINOID ANTAGONISTS AND USE THEREOF BASILEA PHARMACEUTICA AG (CH) 2000-09-14 WO disclosed