SCHEMBL19901700

SCHEMBL19901700

COc1cc(C(=O)NCCOc2cccc3nc(C)c(C(=O)O)c(N)c23)ccc1OCCO

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.46
PDE4B Q07343 4/20 0.46
PDE4C Q08493 4/20 0.46
PDE4D Q08499 4/20 0.46
POLB P06746 1/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 4/20 0.43
HSP90AA1 P07900 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
SMPD1 P17405 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
MCHR1 Q99705 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 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
SCHEMBL19901697 0.97 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL19901676 0.96 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL19901690 0.93 SMPD1 (0.48) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL21281440 0.90 MARS1 (0.43) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL20857173 0.88 MAPT (0.37) POLBNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL621698 0.87 POLB (0.41) POLBNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL621697 0.87 POLB (0.41) POLBNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL620885 0.87 SCD (0.38) POLBNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL28451347 0.86 SMPD1 (0.45) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL619082 0.86 TAS1R3 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552207-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2019-08-21 EP disclosed
US-9902737-B2 Sweet flavor modifier SENOMYX, INC. (US) 2018-02-27 US disclosed