SCHEMBL6946631

SCHEMBL6946631

CC(=O)O[C@@H]1C[C@@H](OC(=O)c2ccccc2)C[C@H](C(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.55
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
HTR3A P46098 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
APOBEC3A P31941 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
TSHR P16473 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
F2 P00734 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL31000129 0.91 CHRNA7 (0.63) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6947680 0.83 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL15305123 0.80 CHRM2 (0.44) TSHR
SCHEMBL15305120 0.80 CHRM2 (0.44) TSHR
SCHEMBL15555633 0.80 CHRM2 (0.44) TSHR
SCHEMBL25219286 0.79 CHRNA7 (0.62) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL25529577 0.79 CHRNA7 (0.62) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4152261 0.79 CHRNA7 (0.65) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL31000123 0.78 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL19431471 0.78 SCN1A (0.48) CHRNA7HTR3EHTR3BHTR3AHTR3D

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-1235832-B1 VITAMIN D PRESCURSORS, METHOD AND INTERMEDIATES THERAMEX (MC) 2003-11-19 EP disclosed
EP-1235832-A1 VITAMIN D PRESCURSORS, METHOD AND INTERMEDIATES LABORATOIRE THERAMEX (MC) 2002-09-04 EP disclosed
WO-2001042251-A1 VITAMIN D PRECURSORS, METHOD AND INTERMEDIATES LABORATOIRE THERAMEX (MC) 2001-06-14 WO disclosed
EP-1106618-A1 Precursors of the A-ring of vitamin D, and method and intermediates for the preparation thereof LABORATOIRE THERAMEX (MC) 2001-06-13 EP disclosed
US-6191292-B1 ENZYMATIC ESTERIFICATION OF A DIOL, E.G., METHYL-3-ACETOXY-5-HYDROXY-CYCLOHEXANECARBOXYLATE BY A LIPASE AND VINYL ALKANOATE OR AN ACID ANHYDRIDE; CYCLIZATION TO A BICYCLIC(3.1.0)HEXANE DERIVATIVE LABORATOIRE THERAMEX (MC) 2001-02-20 US disclosed