SCHEMBL7921786

SCHEMBL7921786

CCCCOc1c(CCO)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.47
PPARG P37231 5/20 0.47
RARG P13631 2/20 0.41
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36
TLR4 O00206 3/20 0.34
CD14 P08571 3/20 0.34
LY96 Q9Y6Y9 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
SCHEMBL6568857 0.81 RXRA (0.43) RXRAPPARGRARGRXRBRXRG
SCHEMBL7921794 0.80 RXRA (0.50) RXRAPPARGRARGRXRBRXRG
SCHEMBL4862938 0.79 RXRA (0.46) RXRAPPARGRARGRXRBRXRG
SCHEMBL14594240 0.79 RXRA (0.47) RXRAPPARGRARGRXRBRXRG
SCHEMBL4860379 0.78 RXRA (0.47) RXRAPPARGRARGRXRBRXRG
SCHEMBL6915961 0.77 RXRA (0.39) RXRAPPARGRARGRXRBRXRG
SCHEMBL13130673 0.76 RXRA (0.40) RXRAPPARGRARGRXRBRXRG
SCHEMBL6473245 0.76 RXRA (0.46) RXRAPPARGRARGRXRBRXRG
SCHEMBL6567748 0.75 RARG (0.36) RXRAPPARGRARGNR5A2NR5A1
SCHEMBL6608332 0.74 RXRA (0.45) 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