SCHEMBL31016283

SCHEMBL31016283

COCOc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(F)c2)c(OCOC)c1CC=C(C)C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 15/20 0.58
PDPK1 O15530 1/20 0.52
TTR P02766 1/20 0.52
ALOX5 P09917 1/20 0.52
TUBB1 Q9H4B7 2/20 0.51
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAOB P27338 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL16166410 1.00 ABCB1 (0.58) ABCB1PDPK1TTRALOX5TUBB1
SCHEMBL16166193 1.00 ABCB1 (0.58) ABCB1PDPK1TTRALOX5TUBB1
SCHEMBL17583531 0.95 ABCB1 (0.57) ABCB1PDPK1TTRALOX5TUBB1
SCHEMBL17583532 0.95 ABCB1 (0.57) ABCB1PDPK1TTRALOX5TUBB1
SCHEMBL30630233 0.92 ABCB1 (0.62) ABCB1PDPK1TTRALOX5MEN1
SCHEMBL16166248 0.91 ABCB1 (0.71) ABCB1PDPK1TTRALOX5MEN1
SCHEMBL31016284 0.91 ABCB1 (0.71) ABCB1PDPK1TTRALOX5MEN1
SCHEMBL16166252 0.91 ABCB1 (0.71) ABCB1PDPK1TTRALOX5MEN1
SCHEMBL16166606 0.91 ABCB1 (0.70) ABCB1PDPK1TTRALOX5MEN1
SCHEMBL31415686 0.88 ABCB1 (0.64) ABCB1PDPK1TTRALOX5MEN1

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-2984072-B1 SYNTHETIC ANALOGUES OF XANTHOHUMOL UNIV PISA (IT) 2024-05-29 EP claimed
EP-2984072-B1 SYNTHETIC ANALOGUES OF XANTHOHUMOL UNIV PISA (IT) 2024-05-29 EP disclosed