SCHEMBL6672264

SCHEMBL6672264

COc1c(C=CC(=O)C(C)C)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.43
PPARG P37231 11/20 0.43
RARG P13631 5/20 0.43
TNFRSF1A P19438 2/20 0.40
RARA P10276 3/20 0.34
RARB P10826 3/20 0.34
RXRB P28702 3/20 0.34
RXRG P48443 3/20 0.34
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32
NFE2L2 Q16236 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
SCHEMBL5663900 0.83 RXRA (0.38) RXRAPPARGRARGTNFRSF1ARARA
Butane SCHEMBL6671236 0.81 RXRA (0.36) RXRAPPARGRARGTNFRSF1ARARA
SCHEMBL5664309 0.79 ESR1 (0.43) RXRAPPARGRARGTNFRSF1A
SCHEMBL5664315 0.79 ESR1 (0.43) RXRAPPARGRARGTNFRSF1A
SCHEMBL5663920 0.78 RXRA (0.38) RXRAPPARGRARGTNFRSF1ARARA
SCHEMBL6671237 0.78 RXRA (0.34) RXRAPPARGRARGTNFRSF1A
SCHEMBL6680912 0.78 RXRA (0.41) RXRAPPARGRARGTNFRSF1ARARA
SCHEMBL5662542 0.78 RXRA (0.41) RXRAPPARGRARGTNFRSF1ARARA
SCHEMBL18556291 0.76 CYP3A4 (0.39) RXRAPPARGRARGTNFRSF1APTGS2
SCHEMBL19124038 0.76 CYP3A4 (0.39) RXRAPPARGRARGTNFRSF1APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004026243-A2 THERAPEUTIC USES OF LINEAR KETOPHOSPHONATES ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO claimed