SCHEMBL31398697

SCHEMBL31398697

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.69
HDAC4 P56524 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
AR P10275 5/20 0.50
CYP3A4 P08684 4/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALOX15 P16050 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1B1 Q16678 1/20 0.50
FTO Q9C0B1 1/20 0.50
HTR2B P41595 5/20 0.49
ATM Q13315 1/20 0.49
HTR3A P46098 1/20 0.49

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
SCHEMBL31398703 0.84 AR (0.55) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL29129667 0.78 AR (0.56) HDAC4HDAC2HDAC8ARCYP3A4
SCHEMBL24248100 0.77 POLH (0.56) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL115397 0.76 HTR2B (0.64) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL7327082 0.76 AR (0.50) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL25304603 0.75 CYP3A4 (0.55) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL17716251 0.74 POLH (0.56) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL31670262 0.74 MAPT (0.64) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL620145 0.74 MAPT (0.64) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL16972792 0.74 HTR2B (0.60) ARCYP3A4MAPTMEN1KMT2A

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