SCHEMBL31070321

SCHEMBL31070321

COC(=O)C1C(c2ccc(O)cc2)C(C(=O)O)C1c1ccc(O)cc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.75
HTT P42858 2/20 0.60
GAA P10253 2/20 0.60
P4HB P07237 1/20 0.60
FABP7 O15540 5/20 0.55
FABP3 P05413 3/20 0.55
FABP5 Q01469 4/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PPARG P37231 5/20 0.48
TSHR P16473 2/20 0.47
ATM Q13315 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
SCHEMBL16869924 0.86 POLB (1.00) POLBHTTGAAP4HBFABP7
SCHEMBL16869915 0.86 POLB (1.00) POLBHTTGAAP4HBFABP7
SCHEMBL16866274 0.86 POLB (1.00) POLBHTTGAAP4HBFABP7
SCHEMBL16870078 0.86 POLB (1.00) POLBHTTGAAP4HBFABP7
SCHEMBL26361049 0.85 GAA (0.61) POLBHTTGAAP4HBFABP7
SCHEMBL6848531 0.85 GAA (0.61) POLBHTTGAAP4HBFABP7
SCHEMBL14225120 0.80 POLB (0.89) POLBHTTGAAP4HBFABP7
SCHEMBL19355164 0.80 POLB (0.89) POLBHTTGAAP4HBFABP7
SCHEMBL19397276 0.78 POLB (0.62) POLB
SCHEMBL16104896 0.78 POLB (0.62) POLBHTTGAAALDH1A1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118359670-A New compound in pteris multifida, and extraction, separation and purification method and application thereof 贵州中医药大学 2024-07-19 CN claimed
CN-118359670-A New compound in pteris multifida, and extraction, separation and purification method and application thereof 贵州中医药大学 2024-07-19 CN disclosed
CN-118359670-A New compound in pteris multifida, and extraction, separation and purification method and application thereof 贵州中医药大学 2024-07-19 CN disclosed