SCHEMBL7801779

SCHEMBL7801779

COc1ccc(C(O)(COC(=O)C(C)C)COC(=O)C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
APEX1 P27695 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KIF11 P52732 4/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40

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
SCHEMBL7808248 0.83 MAPT (0.61) ALDH1A1MAPTPOLBLMNATDP1
SCHEMBL7810039 0.83 ALDH1A1 (0.50) ALDH1A1MAPTPOLBLMNAALOX15
SCHEMBL7808224 0.82 ALDH1A1 (0.49) ALDH1A1MAPTPOLBMAPK1GRIN2D
SCHEMBL7810773 0.82 GRIN2D (0.55) ALDH1A1MAPTPOLBLMNAMAPK1
SCHEMBL7809619 0.81 ALDH1A1 (0.51) ALDH1A1MAPTPOLBLMNAMAPK1
SCHEMBL7807003 0.79 MAPT (0.47) ALDH1A1MAPTPOLBKIF11
SCHEMBL7808447 0.77 ALDH1A1 (0.48) ALDH1A1MAPTPOLBRECQLKIF11
SCHEMBL8147616 0.77 MAPT (0.55) ALDH1A1MAPTPOLBLMNAMAPK1
SCHEMBL8154879 0.77 ALDH1A1 (0.45) ALDH1A1MAPTPOLBLMNAALOX15
SCHEMBL8145241 0.76 ALDH1A1 (0.44) ALDH1A1MAPTPOLBTDP1GRIN2D

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
EP-1120397-A2 Process for preparing triazole derivative KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-08-01 EP disclosed
EP-0704419-B1 PROCESS FOR PRODUCING AN OPTICALLY ACTIVE 2-ARYL-3-ACYLOXY-1,2-PROPANEDIOL KANEGAFUCHI CHEMICAL IND (JP) 2001-07-25 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