SCHEMBL31398705

SCHEMBL31398705

Cc1cccc2c1C(=O)CC(O)(c1ccccc1)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
TSHR P16473 2/20 0.37
MYC P01106 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALOX15 P16050 2/20 0.36
HTT P42858 2/20 0.36
MAP3K14 Q99558 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
CYP3A4 P08684 2/20 0.35

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
SCHEMBL31357424 0.84 RIPK1 (0.50) RIPK1TSHRCA1CA2CA7
SCHEMBL2022537 0.77 SIGMAR1 (0.45) RIPK1KDM4EALOX15HSD17B10MAPT
SCHEMBL753626 0.77 SIGMAR1 (0.45) RIPK1KDM4EALOX15HSD17B10MAPT
SCHEMBL5912567 0.75 ALDH1A1 (0.47) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL28502700 0.74 RIPK1 (0.47) RIPK1TSHRKDM4EALOX15HTT
SCHEMBL27883671 0.73 RIPK1 (0.51) RIPK1TSHRKDM4EALOX15HTT
SCHEMBL28031012 0.73 RIPK1 (0.51) RIPK1TSHRKDM4EALOX15HTT
SCHEMBL6528998 0.73 RIPK1 (0.59) RIPK1CA7KDM4EALOX15HTT
SCHEMBL28500347 0.72 RIPK1 (0.47) RIPK1HTTALDH1A1MEN1KMT2A
SCHEMBL27789415 0.72 PTPN1 (0.44) RIPK1HTTALDH1A1CYP1A2NPSR1

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