SCHEMBL31729488

SCHEMBL31729488

Nc1cc(C(=O)O)ccc1NC1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.67
HCAR3 P49019 5/20 0.62
KDM4E B2RXH2 7/20 0.53
GAA P10253 7/20 0.53
MAPT P10636 5/20 0.53
CHEK1 O14757 1/20 0.52
NTRK1 P04629 1/20 0.52
MET P08581 1/20 0.52
PIM1 P11309 1/20 0.52
LTK P29376 1/20 0.52
GRK5 P34947 1/20 0.52
MAP2K2 P36507 1/20 0.52
CDK8 P49336 1/20 0.52
NEK2 P51955 1/20 0.52
LIMK1 P53667 1/20 0.52
TYRO3 Q06418 1/20 0.52
MAP4K2 Q12851 1/20 0.52
DYRK1A Q13627 1/20 0.52
AURKB Q96GD4 1/20 0.52
ALDH1A1 P00352 3/20 0.51

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
SCHEMBL2027612 1.00 ALOX15 (0.67) ALOX15HCAR3KDM4EGAAMAPT
SCHEMBL5906494 0.92 HCAR3 (0.61) ALOX15HCAR3KDM4EGAAMAPT
SCHEMBL15326511 0.87 ALOX15 (0.70) ALOX15HCAR3KDM4EGAAMAPT
SCHEMBL32660011 0.86 HCAR3 (0.67) ALOX15HCAR3MAPTHDAC8MEN1
SCHEMBL32660050 0.86 HCAR3 (0.67) ALOX15HCAR3MAPTHDAC8MEN1
SCHEMBL2687011 0.85 HCAR3 (0.55) ALOX15HCAR3KDM4EGAAMAPT
SCHEMBL23591998 0.84 ALOX15 (0.74) ALOX15HCAR3KDM4EGAAMAPT
SCHEMBL5065680 0.84 ALOX15 (0.77) ALOX15KDM4EGAAMAPTCHEK1
SCHEMBL29824742 0.84 ALOX15 (0.74) ALOX15HCAR3KDM4EGAAMAPT
SCHEMBL22097712 0.83 HCAR3 (0.59) ALOX15HCAR3ALDH1A1HDAC8MEN1

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
CN-120938982-A Application of iron death inhibitor in preparation of medicine for treating diabetic xerophthalmia 中山大学中山眼科中心 2025-11-14 CN disclosed