SCHEMBL10646808

SCHEMBL10646808

CC1=C(OC(=O)NC(C)C)C(c2ccccc2OCc2ccccc2)C(OC(=O)OC(C)C)=C(C)N1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.37
BRD4 O60885 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.35
NR1I2 O75469 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SGMS2 Q8NHU3 1/20 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
SCHEMBL10649425 0.92 POLB (0.40) POLBSMN1; SMN2GPBAR1BRD4SIRT1
SCHEMBL10646454 0.89 POLB (0.41) POLBSMN1; SMN2GPBAR1BRD4SIRT1
SCHEMBL10644877 0.88 MEN1 (0.40) POLBSMN1; SMN2GPBAR1BRD4SIRT1
SCHEMBL10645587 0.85 TRPM8 (0.43) POLBSMN1; SMN2GPBAR1BRD4KMT2A
SCHEMBL10644333 0.85 TRPM8 (0.43) POLBSMN1; SMN2GPBAR1BRD4KMT2A
SCHEMBL10646822 0.85 TRPM8 (0.43) POLBSMN1; SMN2GPBAR1BRD4KMT2A
SCHEMBL10648208 0.85 BRD4 (0.39) POLBSMN1; SMN2GPBAR1BRD4SIRT1
SCHEMBL10914095 0.85 POLB (0.46) POLBSMN1; SMN2BRD4SIRT1KMT2A
SCHEMBL9691675 0.85 TP53 (0.40) POLBSMN1; SMN2GPBAR1SIRT1KMT2A
SCHEMBL10646407 0.84 KDM4E (0.39) POLBSMN1; SMN2GPBAR1BRD4SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288758-A2 Dihydropyridinamides, process for their preparation and their use in medicines BAYER AG (DE) 1988-11-02 EP disclosed