SCHEMBL7808248

SCHEMBL7808248

Cc1ccc(C(O)(COC(=O)C(C)C)COC(=O)C(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
ALDH1A1 P00352 2/20 0.61
POLB P06746 1/20 0.61
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KIF11 P52732 4/20 0.36
CYP2C9 P11712 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8147616 0.92 MAPT (0.55) MAPTALDH1A1POLBGRIN2DGRIN3B
SCHEMBL8148600 0.86 ALDH1A1 (0.49) MAPTALDH1A1POLBGRIN2DGRIN3B
SCHEMBL7810039 0.86 ALDH1A1 (0.50) MAPTALDH1A1POLBGRIN2DGRIN3B
SCHEMBL7810773 0.85 GRIN2D (0.55) MAPTALDH1A1POLBGRIN2DGRIN3B
SCHEMBL7808224 0.85 ALDH1A1 (0.49) MAPTALDH1A1POLBGRIN2DGRIN3B
SCHEMBL7809619 0.84 ALDH1A1 (0.51) MAPTALDH1A1POLBGRIN2DGRIN3B
SCHEMBL7801779 0.83 ALDH1A1 (0.48) MAPTALDH1A1POLBGRIN2DGRIN3B
SCHEMBL7807003 0.82 MAPT (0.47) MAPTALDH1A1POLBNPC1RAB9A
SCHEMBL8154879 0.80 ALDH1A1 (0.45) MAPTALDH1A1POLBGRIN2DGRIN3B
SCHEMBL8145241 0.79 ALDH1A1 (0.44) MAPTALDH1A1POLBGRIN2DGRIN3B

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