SCHEMBL31072837

SCHEMBL31072837

COC(=O)c1ccc(NCc2cccc(OC)c2)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.57
▸ ALDH1A1 P00352 4/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ NPC1 O15118 3/20 0.52
▸ GFER P55789 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ MMP13 P45452 3/20 0.51
▸ HDAC1 Q13547 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ERAP2 Q6P179 1/20 0.49
▸ LNPEP Q9UIQ6 1/20 0.49
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ HIF1A Q16665 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
SCHEMBL1180032 0.90 LOXL2 (0.53) HDAC8ALDH1A1KDM4EGAAMAPT
SCHEMBL12004538 0.86 GAA (0.54) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL15687652 0.86 CA1 (0.61) HDAC8ALDH1A1KDM4EGAAMAPT
SCHEMBL8037982 0.85 KDM4E (0.54) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL29343403 0.83 MAPT (0.49) HDAC8ALDH1A1KDM4EGAAMAPT
SCHEMBL29342739 0.81 MAPT (0.59) HDAC8ALDH1A1MAPTNPC1HPGD
SCHEMBL31072813 0.81 MAPT (0.59) HDAC8ALDH1A1MAPTNPC1HPGD
SCHEMBL31237125 0.81 MRGPRX4 (0.57) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL14420824 0.80 LOXL2 (0.58) ALDH1A1KDM4EMAPTHPGDHDAC1
SCHEMBL22121210 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EGAAMAPTHSD17B10

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-4648762-A2 PPARG MODULATORS University of Florida Research Foundation, Incorporated (US) 2025-11-19 — — EP disclosed
WO-2024151519-A2 PPARG MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATIN, INCORPORATED (US) 2024-07-18 — — WO disclosed
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