SCHEMBL31357424

SCHEMBL31357424

O=C1CC(O)(c2ccccc2)Oc2cccc(O)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.50
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 4/20 0.39
HSD17B10 Q99714 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
TTR P02766 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
TYR P14679 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MEN1 O00255 4/20 0.33
MAPT P10636 4/20 0.33

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
SCHEMBL31398705 0.84 RIPK1 (0.44) RIPK1ALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL6528998 0.83 RIPK1 (0.59) RIPK1ALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL28031012 0.80 RIPK1 (0.51) RIPK1ALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL27883671 0.80 RIPK1 (0.51) RIPK1ALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL753626 0.78 SIGMAR1 (0.45) RIPK1ALOX15HSD17B10KDM4EMAPT
SCHEMBL2022537 0.78 SIGMAR1 (0.45) RIPK1ALOX15HSD17B10KDM4EMAPT
SCHEMBL20480462 0.75 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDTSHRHTT
SCHEMBL30506306 0.75 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDTSHRHTT
SCHEMBL28506501 0.75 RIPK1 (0.41) RIPK1ALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL27882641 0.75 CA1 (0.39) ALDH1A1ALOX15HSD17B10KDM4EHPGD

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-119355178-B Screening method of Mongolian medicine daribu-5 potential quality difference marker 内蒙古医科大学 2025-03-18 CN disclosed
CN-119355178-A Screening method of Mongolian medicine daribu-5 potential quality difference marker 内蒙古医科大学 2025-01-24 CN disclosed