SCHEMBL19901697

SCHEMBL19901697

COc1ccc(C(=O)NCCOc2cccc3nc(C)c(C(=O)O)c(N)c23)cc1OCCO

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.48
PDE4B Q07343 4/20 0.48
PDE4C Q08493 4/20 0.48
PDE4D Q08499 4/20 0.48
SMPD1 P17405 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 3/20 0.43
HSP90AA1 P07900 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
MCHR1 Q99705 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL19901700 0.97 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DSMPD1
SCHEMBL19901690 0.96 SMPD1 (0.48) PDE4APDE4BPDE4CPDE4DSMPD1
SCHEMBL19901676 0.93 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DSMPD1
SCHEMBL21281440 0.90 MARS1 (0.43) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL20857162 0.88 SCD (0.38) PDE4DSMPD1POLBNPC1RAB9A
SCHEMBL620900 0.87 SCD (0.39) PDE4DSMPD1POLBNPC1RAB9A
SCHEMBL618508 0.87 POLB (0.41) PDE4DSMPD1POLBKMT2ASMN1; SMN2
SCHEMBL621642 0.87 POLB (0.41) PDE4DSMPD1POLBKMT2ASMN1; SMN2
SCHEMBL20857173 0.85 MAPT (0.37) POLBNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL21281165 0.84 MCHR1 (0.44) POLBNPC1RAB9AKMT2ASMN1; SMN2

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
US-9902737-B2 Sweet flavor modifier SENOMYX, INC. (US) 2018-02-27 US disclosed