SCHEMBL8740245

SCHEMBL8740245

CCC(=O)OOc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
RAB9A P51151 1/20 0.54
LIPE Q05469 14/20 0.53
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPK1 P28482 1/20 0.52
BCHE P06276 1/20 0.52
SCN9A Q15858 1/20 0.49

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
SCHEMBL8581981 0.87 LMNA (0.63) LMNARAB9ALIPEBCHE
SCHEMBL27396537 0.80 LMNA (0.60) LMNARAB9ALIPEBCHE
SCHEMBL11351938 0.79 MAPT (0.69) LMNARAB9ALIPEMAPTNPSR1
SCHEMBL8909901 0.79 LMNA (0.66) LMNARAB9ALIPEMAPTNPSR1
SCHEMBL9255996 0.78 MAPK1 (0.74) LMNARAB9ALIPEMAPTNPSR1
SCHEMBL9304488 0.78 LMNA (0.58) LMNARAB9ALIPEMAPTNPSR1
SCHEMBL4317357 0.78 LMNA (0.75) LMNARAB9ALIPEMAPTNPSR1
SCHEMBL9108246 0.77 LMNA (0.63) LMNARAB9ALIPEMAPTNPSR1
SCHEMBL9267594 0.77 LMNA (0.63) LMNARAB9ALIPEMAPTNPSR1
SCHEMBL10944778 0.76 LMNA (0.62) LMNARAB9ALIPEMAPTNPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5675017-A REACTING VINY ETHER DERIVATIVE WITH HYDRZINE OR SUBSTITUTED HYDRAZINE TO FORM A CHEMICAL INTERMEDIATE, REACTING INTERMEDIATE WITH SUBSTITUTED HALIDE OR DIALKYL SULFATE MONSANTO COMPANY (US) 1997-10-07 US disclosed
US-5672715-A Herbicidal substituted 3-aryl-pyrazoles MONSANTO COMPANY (US) 1997-09-30 US disclosed
EP-0439857-B1 A solvent-free process for the preparation of ((pyridinyloxy)phenoxy) propionate derivatives DOWELANCO (US) 1994-12-21 EP disclosed
EP-0040478-A1 Process for preparing pyridine derivatives and intermediates useful in the process IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-11-25 EP disclosed