SCHEMBL31394282

SCHEMBL31394282

COC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 3/20 0.35
UCHL1 P09936 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
EGFR P00533 1/20 0.32
ROCK1 Q13464 1/20 0.32
LIPE Q05469 2/20 0.32

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
SCHEMBL31024683 0.94 KDM4E (0.32) KDM4EALDH1A1UCHL1GAAMAPT
SCHEMBL25344076 0.94 KDM4E (0.32) KDM4EALDH1A1UCHL1GAAMAPT
SCHEMBL12470442 0.93 PKM (0.34) KDM4EALDH1A1UCHL1CA12CA1
SCHEMBL16113392 0.93 UCHL1 (0.33) KDM4EALDH1A1UCHL1CA12CA1
SCHEMBL31335244 0.90 LIPE (0.35) KDM4EALDH1A1UCHL1CA12CA1
SCHEMBL15556472 0.90 LIPE (0.35) KDM4EALDH1A1UCHL1CA12CA1
SCHEMBL23240469 0.90 CA1 (0.40) KDM4EALDH1A1UCHL1CA12CA1
SCHEMBL23751800 0.89 KDM4E (0.44) KDM4EALDH1A1UCHL1GAAMAPT
SCHEMBL22140531 0.89 KDM4E (0.47) KDM4EALDH1A1UCHL1GAAMAPT
SCHEMBL17187034 0.89 GAA (0.39) ALDH1A1UCHL1GAAMAPTHPGD

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-4656642-A1 ESTROGEN RECEPTOR PROTEOLYSIS TARGETING CHIMERA COMPOUND AND USE THEREOF GAN & LEE PHARM CO., LTD (CN) 2025-12-03 EP disclosed
WO-2025049746-A1 COMPOSITIONS COMPRISING WERNER SYNDROME HELICASE INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed