SCHEMBL20012876

SCHEMBL20012876

COC(=O)c1ccc(COc2ccc(CN(C)c3ccccc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
RAB9A P51151 6/20 0.59
NPC1 O15118 6/20 0.59
MAPT P10636 3/20 0.59
PPARA Q07869 1/20 0.58
ALOX5 P09917 2/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
MAOB P27338 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL3607026 0.89 HDAC3 (0.58) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL26023443 0.84 CA1 (0.55) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL978502 0.84 RAB9A (0.71) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL6162284 0.84 SMN1; SMN2 (0.79) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL1745408 0.83 FFAR1 (0.54) PPARAALOX5PTGS1PTGS2MAOB
SCHEMBL11350421 0.82 RAB9A (0.82) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL10236929 0.82 RAB9A (0.82) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL27395439 0.81 RAB9A (0.68) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL1746788 0.81 FFAR1 (0.70) PPARAALOX5PTGS1PTGS2POLB
SCHEMBL9343582 0.80 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2ARAB9ANPC1

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-3152204-B1 CARBAMATE DERIVATIVES WHICH ARE BOTH PHOSPHODIESTERASE 4 (PDE4) ENZYME INHIBITORS AND MUSCARINIC M3 RECEPTOR ANTAGONISTS CHIESI FARM SPA (IT) 2018-03-28 EP disclosed