SCHEMBL3345554

SCHEMBL3345554

O=C(O)CC1(CC(=O)O)CCCCCCCCCCC1(CC(=O)O)CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.58
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 2/20 0.54
USP2 O75604 2/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
BLM P54132 1/20 0.54
CACNA2D1 P54289 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD11B1 P28845 3/20 0.42
MAPK1 P28482 1/20 0.37
FFAR3 O14843 1/20 0.33
HPGD P15428 1/20 0.33
MME P08473 1/20 0.33
KMT2A Q03164 1/20 0.33

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
Cyclohexane SCHEMBL9536108 1.00 CYP2C19 (0.58) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL6158201 0.97 CYP2C19 (0.54) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL31215163 0.84 CYP2C19 (0.43) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL10602483 0.78 ALDH1A1 (0.74) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL3421776 0.78 ALDH1A1 (0.74) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL2871721 0.78 ALDH1A1 (0.74) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL98282 0.78 ALDH1A1 (0.74) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL5497063 0.77 USP2 (0.44) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL9055840 0.77 CYP2C19 (0.42) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL10816620 0.77 USP2 (0.44) CYP2C19ALDH1A1CYP1A2USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4605424-A1 AGENTS AND METHODS FOR TREATING MYOPATHIES Implicit Bioscience Limited (AU) 2025-08-27 EP disclosed
WO-2024082009-A1 AGENTS AND METHODS FOR TREATING MYOPATHIES Implicit Bioscience Limited (AU) 2024-04-25 WO disclosed
EP-2269071-A1 METHODS AND AGENTS FOR THE DIAGNOSIS AND TREATMENT OF HEPATOCELLULAR CARCINOMA China Synthetic Rubber Corporation (TW) 2011-01-05 EP disclosed
WO-2010051105-A1 METHODS AND AGENTS FOR THE DIAGNOSIS AND TREATMENT OF HEPATOCELLULAR CARCINOMA CHINA SYNTHETIC RUBBER CORPORATION (CN) 2010-05-06 WO disclosed
WO-2009117096-A1 METHODS AND AGENTS FOR THE DIAGNOSIS AND TREATMENT OF HEPATOCELLULAR CARCINOMA CHINA SYNTHETIC RUBBER CORPORATION (CN) 2009-09-24 WO disclosed