SCHEMBL14941981

SCHEMBL14941981

O=C(O)CC1(C(C(=O)O)C2(CC(=O)O)CCCCCCCCCCC2)CCCCCCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
CACNA2D1 P54289 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD11B1 P28845 3/20 0.37
MME P08473 3/20 0.34
GRM1 Q13255 1/20 0.33
MAPK1 P28482 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
SCHEMBL25288139 0.78 CYP2C19 (0.48) CYP2C19CYP1A2ALDH1A1USP2LMNA
SCHEMBL5511328 0.78 CYP2C19 (0.48) CYP2C19CYP1A2ALDH1A1USP2LMNA
SCHEMBL5510502 0.76 CYP2C19 (0.45) CYP2C19CYP1A2ALDH1A1USP2LMNA
SCHEMBL5608513 0.75 CYP1A2 (0.47) CYP2C19CYP1A2ALDH1A1USP2LMNA
SCHEMBL28178666 0.74 CYP2C19 (0.44) CYP2C19CYP1A2ALDH1A1USP2LMNA
SCHEMBL7770551 0.72 CYP1A2 (0.44) CYP2C19CYP1A2ALDH1A1USP2LMNA
SCHEMBL7772817 0.72 CYP1A2 (0.44) CYP2C19CYP1A2ALDH1A1USP2LMNA
SCHEMBL7768488 0.72 CYP1A2 (0.44) CYP2C19CYP1A2ALDH1A1USP2LMNA
SCHEMBL10488668 0.71 CA2 (0.42) CYP2C19CYP1A2ALDH1A1USP2LMNA
SCHEMBL5510045 0.71 CYP2C19 (0.40) CYP2C19CYP1A2ALDH1A1USP2LMNA

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-2775906-A1 EVALUATION OF PRESENCE OF AND VULNERABILITY TO ATRIAL FIBRILLATION AND OTHER INDICATIONS USING MATRIX METALLOPROTEINASE-BASED IMAGING Lantheus Medical Imaging, Inc. (US) 2014-09-17 EP disclosed
WO-2013070471-A1 EVALUATION OF PRESENCE OF AND VULNERABILITY TO ATRIAL FIBRILLATION AND OTHER INDICATIONS USING MATRIX METALLOPROTEINASE-BASED IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2013-05-16 WO disclosed