SCHEMBL6686592

SCHEMBL6686592

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.36
RARG P13631 1/20 0.35
RXRA P19793 1/20 0.35
PPARG P37231 1/20 0.35
MAPT P10636 1/20 0.33
TNFRSF1A P19438 2/20 0.33
PTPN1 P18031 1/20 0.30

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
SCHEMBL5663920 0.83 RXRA (0.38) HMGCRRARGRXRAPPARGMAPT
SCHEMBL5668478 0.83 RARG (0.39) RARGRXRAPPARGTNFRSF1APTPN1
SCHEMBL6683401 0.78 RXRA (0.35) HMGCRRARGRXRAPPARGTNFRSF1A
SCHEMBL6680912 0.77 RXRA (0.41) RARGRXRAPPARGMAPTTNFRSF1A
SCHEMBL5662542 0.77 RXRA (0.41) RARGRXRAPPARGMAPTTNFRSF1A
SCHEMBL9228303 0.76 HMGCR (0.51) HMGCRTNFRSF1A
SCHEMBL6672264 0.75 RXRA (0.43) RARGRXRAPPARGTNFRSF1A
SCHEMBL5663415 0.74 RXRA (0.38) RARGRXRAPPARGTNFRSF1A
SCHEMBL5667374 0.74 RXRA (0.38) RARGRXRAPPARGTNFRSF1A
SCHEMBL5663900 0.74 RXRA (0.38) RARGRXRAPPARGTNFRSF1A

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 disclosed