SCHEMBL7861896

SCHEMBL7861896

CCCCC(O)OC[C@](O)(COS(C)(=O)=O)c1ccc(F)cc1F

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP51A1 Q16850 1/20 0.32
FAAH O00519 1/20 0.31
PER2 O15055 3/20 0.30
CRY1 Q16526 3/20 0.30
CRY2 Q49AN0 3/20 0.30
KCNN4 O15554 1/20 0.30

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
SCHEMBL7855282 0.84 CYP3A4 (0.36) LMNAHSP90AA1CYP3A4CYP19A1CYP2C9
SCHEMBL7855114 0.77 ALDH1A1 (0.34) LMNAHSP90AA1CYP3A4CYP19A1CYP2C9
SCHEMBL7861851 0.77 MAPT (0.36) LMNAHSP90AA1CYP3A4CYP19A1CYP2C9
SCHEMBL7855084 0.77 ALDH1A1 (0.52) LMNAHSP90AA1CYP3A4CYP19A1CYP2C9
SCHEMBL7861900 0.77 CYP3A4 (0.38) LMNAHSP90AA1CYP3A4CYP19A1CYP2C9
SCHEMBL7862058 0.77 ALDH1A1 (0.52) LMNAHSP90AA1CYP3A4CYP19A1CYP2C9
SCHEMBL7862042 0.76 MAPT (0.37) LMNAHSP90AA1CYP3A4CYP19A1CYP2C9
SCHEMBL7862016 0.76 MAPT (0.37) LMNAHSP90AA1CYP3A4CYP19A1CYP2C9
SCHEMBL7810757 0.69 SMN1; SMN2 (0.42) LMNAHSP90AA1CYP3A4CYP19A1CYP2C9
SCHEMBL6944894 0.68 CYP3A4 (0.74) LMNAHSP90AA1CYP3A4CYP19A1CYP2C9

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-1120397-A2 Process for preparing triazole derivative KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-08-01 EP disclosed
US-6046354-A CHEMICAL INTERMEDIATES, E.G. 2-ARYL-1,3-DIACYLOXY-2-PROPANOL, FOR DRUGS AND FUNGICIDES,E.G. (R)-2-(2,4-DIFLUOROPHENYL)-3-(1H-1,2,4-TRIAZOLE-1-YL)-PROPANE-1,2-DIOL, KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-04-04 US disclosed
US-5840553-A OPTICALLY ACTIVE 2-ARYL-3-ACYLOXY-1,2,-PROPANE DIOL USING A MICROORGANISM OR ENZYME DERIVED FROM PORCINE PANCREAS; VIA STEREOSPECIFIC HYDROLYSIS OF A 2-ARYL-1,3-DIACYLOXY-2-PROPANOL; SYNTHETIC CHEMICAL INTERMEDIATES, FUNGICIDES KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5654472-A OPTICALLY PURE 2-ARYL-3-ACYLOXY-1,2-PROPANEDIOL COMPOUNDS; CHEMICAL INTERMEDIATES KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-08-05 US disclosed
EP-0704419-A1 PROCESS FOR PRODUCING TRIAZOLE DERIVATIVE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-04-03 EP disclosed