SCHEMBL29612252

SCHEMBL29612252

CC1(O)C=CC(=O)C(O)=C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CDC25B P30305 1/20 0.31
TXNRD1 Q16881 1/20 0.31
TXNRD3 Q86VQ6 1/20 0.31
COPS5 Q92905 1/20 0.31
AURKB Q96GD4 1/20 0.31
TXNRD2 Q9NNW7 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL11168899 0.79
SCHEMBL28568491 0.72 POLB (0.37) ALDH1A1MAPTHPGD
SCHEMBL9861483 0.68
SCHEMBL14163085 0.67
SCHEMBL21471561 0.63
SCHEMBL11166309 0.63 DBH (0.35) MEN1ALDH1A1CYP3A4MAPTHPGD
SCHEMBL221723 0.59
SCHEMBL28134388 0.59 MAPT (0.46) AURKACYP1A1CYP1A2CDC25BTXNRD1
SCHEMBL14148124 0.58
SCHEMBL19181188 0.57 CYP3A4 (0.39) CYP3A4

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
EP-4240342-A1 SUBSTITUTED RESORCYLIC ACID COMPOUNDS AS AMPK ACTIVATOR AND USES THEREOF Société des Produits Nestlé S.A. (CH) 2023-09-13 EP claimed
WO-2022096423-A1 SUBSTITUTED RESORCYLIC ACID COMPOUNDS AS AMPK ACTIVATOR AND USES THEREOF Société des Produits Nestlé S.A. (CH) 2022-05-12 WO claimed