SCHEMBL31454902

SCHEMBL31454902

Cc1cc(=O)oc2c(C(=O)O)c(O)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.67
MAPT P10636 6/20 0.67
LMNA P02545 6/20 0.67
GAA P10253 3/20 0.67
ALDH1A1 P00352 3/20 0.67
KDM4E B2RXH2 3/20 0.67
MCL1 Q07820 2/20 0.67
MGAM O43451 1/20 0.67
TP53 P04637 1/20 0.67
CYP3A4 P08684 1/20 0.67
SI P14410 1/20 0.67
ALOX15 P16050 1/20 0.67
MAPK1 P28482 1/20 0.67
MGAM2 Q2M2H8 1/20 0.67
GFER P55789 1/20 0.63
HSD17B10 Q99714 1/20 0.63
ERN1 O75460 1/20 0.61
MAOA P21397 4/20 0.60
HTT P42858 3/20 0.57
HPGD P15428 3/20 0.57

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
SCHEMBL29276289 0.88 MAOB (0.63) MAOBMAPTLMNAGAAALDH1A1
SCHEMBL4383562 0.88 MAOB (0.67) MAOBMAPTLMNAGAAALDH1A1
SCHEMBL29749855 0.88 MAOB (0.67) MAOBMAPTLMNAGAAALDH1A1
SCHEMBL660434 0.85 ALDH1A1 (0.69) MAOBMAPTLMNAGAAALDH1A1
SCHEMBL31262908 0.84 MAOA (0.63) MAOBMAPTLMNAGAAALDH1A1
SCHEMBL31454846 0.83 ERAP1 (0.54) MAOBMAPTLMNAGAAALDH1A1
SCHEMBL11701538 0.82 MAOB (0.60) MAOBMAPTLMNAGAAALDH1A1
SCHEMBL6333867 0.81 MAOB (0.61) MAOBMAPTLMNAGAAALDH1A1
4-Methyldaphnetin SCHEMBL1065373 0.80 MCL1 (1.00) MAOBMAPTLMNAGAAALDH1A1
SCHEMBL4187220 0.80 MAOB (1.00) MAOBMAPTLMNAGAAALDH1A1

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-2025042896-A1 DNA TOPOISOMERASE IIβ INHIBITORS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2025-02-27 WO disclosed