SCHEMBL31398703

SCHEMBL31398703

CC(C)c1cc(=O)c2c(O)cccc2o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.55
CYP3A4 P08684 4/20 0.55
MAPT P10636 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALOX15 P16050 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A1 P04798 1/20 0.55
CYP1A2 P05177 1/20 0.55
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP1B1 Q16678 1/20 0.55
FTO Q9C0B1 1/20 0.55
MAPK1 P28482 2/20 0.54
RAF1 P04049 1/20 0.54
HPGD P15428 1/20 0.54
ATM Q13315 1/20 0.54
POLH Q9Y253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALOX5 P09917 1/20 0.53

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
SCHEMBL31398697 0.84 RXRA (0.69) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL29129667 0.83 AR (0.56) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL25304603 0.81 CYP3A4 (0.55) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL17949776 0.79 RXRA (0.72) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL17716251 0.79 POLH (0.56) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL620145 0.79 MAPT (0.64) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL31670262 0.79 MAPT (0.64) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL15920417 0.78 POLH (0.58) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL16688554 0.77 POLH (0.60) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL2274000 0.77 MAOA (0.41) CYP3A4MAPTMEN1KMT2AALOX15

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
CN-119569692-A Xanthohumol derivative in hops, and preparation method and application thereof 中国科学院新疆理化技术研究所 2025-03-07 CN claimed
CN-119569692-A Xanthohumol derivative in hops, and preparation method and application thereof 中国科学院新疆理化技术研究所 2025-03-07 CN disclosed