SCHEMBL6680912

SCHEMBL6680912

COc1c(/C=C/C(=O)C(C)(C)P(=O)(O)O)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.41
PPARG P37231 10/20 0.41
RARG P13631 4/20 0.41
TNFRSF1A P19438 2/20 0.38
ALOX5 P09917 3/20 0.33
PTGS2 P35354 3/20 0.33
RARA P10276 3/20 0.32
RARB P10826 3/20 0.32
RXRB P28702 3/20 0.32
RXRG P48443 3/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5662542 1.00 RXRA (0.41) RXRAPPARGRARGTNFRSF1AALOX5
SCHEMBL5663920 0.85 RXRA (0.38) RXRAPPARGRARGTNFRSF1AALOX5
SCHEMBL6681261 0.83 ALOX5 (0.44) TNFRSF1AALOX5PTGS2KMT2ASMN1; SMN2
SCHEMBL5665712 0.83 ALOX5 (0.44) TNFRSF1AALOX5PTGS2KMT2ASMN1; SMN2
SCHEMBL5668478 0.82 RARG (0.39) RXRAPPARGRARGTNFRSF1AALOX5
SCHEMBL6916935 0.82 TNFRSF1A (0.50) TNFRSF1AKMT2ATP53MAPT
SCHEMBL7065034 0.82 TNFRSF1A (0.50) TNFRSF1AKMT2ATP53MAPT
SCHEMBL5663415 0.80 RXRA (0.38) RXRAPPARGRARGTNFRSF1AALOX5
SCHEMBL5667374 0.80 RXRA (0.38) RXRAPPARGRARGTNFRSF1AALOX5
SCHEMBL5664069 0.80 CYP1A2 (0.38) ALOX5PTGS2KMT2ASMN1; SMN2

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