SCHEMBL31290722

SCHEMBL31290722

Cc1ccc2oc(=O)cc(O)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.64
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA9 Q16790 1/20 0.59
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 4/20 0.53
NQO1 P15559 1/20 0.53
MAPT P10636 3/20 0.51
CYP3A4 P08684 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
PRKDC P78527 1/20 0.51
CSNK2A2 P19784 2/20 0.50
CSNK2B P67870 2/20 0.50
CSNK2A1 P68400 2/20 0.50
NR2E3 Q9Y5X4 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL2490464 1.00 PIM1 (0.64) PIM1CA12CA1CA9KDM4E
SCHEMBL757926 0.85 ALDH1A1 (0.68) PIM1CA12CA1CA9KDM4E
SCHEMBL31290721 0.85 ALDH1A1 (0.68) PIM1CA12CA1CA9KDM4E
SCHEMBL67818 0.81 ALDH1A1 (0.64) CA12CA1CA9KDM4EALDH1A1
SCHEMBL30636721 0.81 ALDH1A1 (0.64) CA12CA1CA9KDM4EALDH1A1
SCHEMBL5341818 0.81 KDM4E (0.72) PIM1CA12CA1CA9KDM4E
SCHEMBL11828153 0.79 NQO1 (0.58) CA12CA1CA9KDM4EALDH1A1
SCHEMBL2492142 0.78 PIM1 (0.64) PIM1CA12CA1CA9KDM4E
SCHEMBL5336545 0.78 PIM1 (0.64) PIM1CA12CA1CA9KDM4E
SCHEMBL5456535 0.78 ALDH1A1 (0.51) KDM4EALDH1A1KMT2ANQO1MAPT

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
US-20250263774-A1 DISCOVERING NEW XENOBIOTIC SUBSTRATES OF AN UDP-GLYCOSYLTRANSFERASE WITH A HIGH-THROUGHPUT METHOD UNIV NORTH TEXAS (US) 2025-08-21 US disclosed
CN-119192119-A Coumarin thioether pleuromutilin derivative and application thereof 西华大学 2024-12-27 CN disclosed