SCHEMBL29924059

SCHEMBL29924059

CC(C)c1cc(C(=O)O)c(O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.53
HSP90AB1 P08238 2/20 0.53
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GRM1 Q13255 1/20 0.47
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LMNA P02545 1/20 0.42
ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL18677495 1.00 HSP90AA1 (0.53) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL28000168 0.85 HSP90AA1 (0.54) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL29382216 0.84 MAPT (0.57) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL8945912 0.84 MAPT (0.57) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL9252960 0.84 GRM1 (0.57) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL382344 0.83 HSP90AA1 (0.53) HSP90AA1HSP90AB1MEN1KMT2ANPSR1
SCHEMBL30779568 0.83 HSP90AA1 (0.53) HSP90AA1HSP90AB1MEN1KMT2ANPSR1
SCHEMBL71656 0.82 MEN1 (0.46) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL31335977 0.82 EIF4A3 (0.47) HSP90AA1HSP90AB1MEN1MAPTKMT2A
Bicarbonate SCHEMBL11611377 0.82 LMNA (0.48) HSP90AA1HSP90AB1MEN1MAPTKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115074716-A Chromium-free passivator for coil steel and preparation method thereof 上海光华金属表面处理有限公司 2022-09-20 CN claimed
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
CN-115397811-B Isoindoline derivatives binding to ATP binding sites 奈奥芬莱有限公司 2025-05-23 CN disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed
EP-4093731-A1 ISOINDOLINE DERIVATIVES WHICH BIND TO AN ATP BINDING SITE Neophore Limited (GB) 2022-11-30 EP disclosed
CN-115074716-A Chromium-free passivator for coil steel and preparation method thereof 上海光华金属表面处理有限公司 2022-09-20 CN disclosed