SCHEMBL7808531

SCHEMBL7808531

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
HTR7 P34969 1/20 0.38
KCNN4 O15554 1/20 0.36
LMNA P02545 2/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP51A1 Q16850 1/20 0.36
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
RORC P51449 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HDAC6 Q9UBN7 3/20 0.34

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
SCHEMBL7810757 0.94 SMN1; SMN2 (0.42) SMN1; SMN2HTR7KCNN4LMNAHSP90AA1
SCHEMBL7808338 0.93 KCNN4 (0.37) KCNN4LMNAHSP90AA1CYP3A4CYP19A1
SCHEMBL8154812 0.93 KCNN4 (0.37) KCNN4LMNAHSP90AA1CYP3A4CYP19A1
SCHEMBL7801894 0.87 KCNN4 (0.39) KCNN4LMNAHSP90AA1CYP3A4CYP19A1
SCHEMBL7801897 0.87 KCNN4 (0.39) KCNN4LMNAHSP90AA1CYP3A4CYP19A1
SCHEMBL7801704 0.86 KCNN4 (0.40) SMN1; SMN2KCNN4LMNAHSP90AA1CYP3A4
SCHEMBL7813806 0.82 KCNN4 (0.40) KCNN4LMNAHSP90AA1CYP3A4CYP19A1
SCHEMBL7813808 0.82 KCNN4 (0.40) KCNN4LMNAHSP90AA1CYP3A4CYP19A1
SCHEMBL7809753 0.80 KCNN4 (0.41) KCNN4LMNAHSP90AA1CYP3A4CYP19A1
SCHEMBL7813727 0.80 ALDH1A1 (0.51) KCNN4LMNAHSP90AA1CYP3A4CYP19A1

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