SCHEMBL16662001

SCHEMBL16662001

COC(=O)c1cc(C)c(Cl)cc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
ABL1 P00519 1/20 0.46
HTT P42858 1/20 0.44
PTGS2 P35354 1/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 3/20 0.40
NR4A2 P43354 3/20 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
SCHEMBL18432300 0.90 GAA (0.46) GAAABL1HTTPTGS2MAPT
SCHEMBL19045818 0.90 GAA (0.50) GAAABL1HTTPTGS2MAPT
SCHEMBL7863946 0.90 GAA (0.50) GAAABL1HTTPTGS2MAPT
SCHEMBL1953848 0.87 GAA (0.58) GAAABL1HTTMAPTLMNA
SCHEMBL168271 0.86 CA12 (0.50) GAAABL1HTTPTGS2LMNA
SCHEMBL7177999 0.86 CA12 (0.50) GAAABL1HTTPTGS2MAPT
SCHEMBL13696490 0.85 GAA (0.63) GAAHTTMAPTLMNASMN1; SMN2
SCHEMBL3689533 0.85 GAA (0.46) GAAABL1HTTPTGS2MAPT
SCHEMBL4857922 0.85 GAA (0.42) GAAABL1HTTPTGS2MAPT
SCHEMBL17030839 0.85 ABL1 (0.57) GAAABL1MAPTHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526096-B1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-04-22 EP disclosed
US-20140012017-A1 ORGANIC SEMICONDUCTOR COMPOUND, SEMICONDUCTOR DEVICE, SOLAR CELL AND PRODUCING METHOD OF ORGANIC SEMICONDUCTOR COMPOUND NAT INST FOR MATERIALS SCIENCE (JP) 2014-01-09 US disclosed