SCHEMBL24745852

SCHEMBL24745852

COc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL24515305 0.94 KDM4E (0.41) ALDH1A1KDM4EHPGDHSD17B10LCK
SCHEMBL29891154 0.88 GAA (0.40) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL3515967 0.88 GAA (0.40) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL24746071 0.85 EGFR (0.33) EGFRCYP3A4
SCHEMBL26918687 0.85 ALDH1A1 (0.36) ALDH1A1KDM4EHPGD
SCHEMBL25641838 0.83 CA9 (0.39) ALDH1A1KDM4EHSD17B10LMNAMAPK1
SCHEMBL25344076 0.82 KDM4E (0.32) ALDH1A1KDM4EHPGDHSD17B10GPR35
SCHEMBL31024683 0.82 KDM4E (0.32) ALDH1A1KDM4EHPGDHSD17B10GPR35
SCHEMBL31537484 0.82 GAA (0.40) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL23213804 0.81 DHODH (0.37)

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
CN-117120090-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2023-11-24 CN disclosed
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed