SCHEMBL31735898

SCHEMBL31735898

COc1ccc2ncc(CC(=O)O)cc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.66
AKR1C3 P42330 1/20 0.66
AKR1C2 P52895 1/20 0.66
ALDH1A1 P00352 3/20 0.59
HPGD P15428 2/20 0.59
F2 P00734 1/20 0.59
GLA P06280 1/20 0.59
CYP11B1 P15538 2/20 0.59
CYP11B2 P19099 2/20 0.59
PDE10A Q9Y233 4/20 0.51
PDGFRB P09619 3/20 0.49
PDGFRA P16234 3/20 0.49
EGFR P00533 1/20 0.48
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
VDR P11473 1/20 0.45
PPARD Q03181 1/20 0.45
HPGDS O60760 1/20 0.45

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
SCHEMBL2697677 0.89 PTGS1 (0.66) PTGS1AKR1C3AKR1C2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL2698462 0.87 PTGS1 (0.64) PTGS1AKR1C3AKR1C2ALDH1A1HPGD
SCHEMBL3854350 0.86 ALDH1A1 (0.57) PTGS1AKR1C3AKR1C2ALDH1A1HPGD
SCHEMBL31735602 0.83 ALDH1A1 (0.56) PTGS1AKR1C3AKR1C2ALDH1A1HPGD
SCHEMBL8882652 0.82 ALDH1A1 (0.57) PTGS1AKR1C3AKR1C2ALDH1A1HPGD
Ethane SCHEMBL27947703 0.81 ALDH1A1 (0.56) PTGS1AKR1C3AKR1C2ALDH1A1HPGD
SCHEMBL9814937 0.80 PDGFRB (0.55) ALDH1A1HPGDF2GLAPDE10A
SCHEMBL8883782 0.80 ALDH1A1 (0.56) PTGS1AKR1C3AKR1C2ALDH1A1HPGD
SCHEMBL8883784 0.80 ALDH1A1 (0.56) PTGS1AKR1C3AKR1C2ALDH1A1HPGD
6-Methoxy-2-Naphthylacetic Acid SCHEMBL253759 0.80 AKR1C3 (1.00) PTGS1AKR1C3AKR1C2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025245472-A1 COMPOUNDS AND RELATED METHODS USEFUL FOR DEGRADATION OF CYCLIN K AND INHIBITION OF CYCLIN DEPENDENT KINASES REMIX THERAPEUTICS INC. (US) 2025-11-27 WO disclosed