SCHEMBL8060946

SCHEMBL8060946

C=CN(C(=C)C(=O)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
AKT1 P31749 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.35
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TGM2 P21980 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 3/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9560753 0.82 NPSR1 (0.41) NPSR1AKT1TRPM8KMT2AALDH1A1
SCHEMBL3257322 0.81 NPSR1 (0.44) NPSR1AKT1TRPM8KMT2AALDH1A1
SCHEMBL2390372 0.79 NPSR1 (0.43) NPSR1AKT1TRPM8KMT2AALDH1A1
SCHEMBL11703953 0.78 NPSR1 (0.41) NPSR1AKT1TRPM8KMT2AALDH1A1
SCHEMBL11883850 0.78 AKT1 (0.43) NPSR1AKT1TRPM8KMT2AALDH1A1
SCHEMBL273919 0.78 KMT2A (0.46) NPSR1AKT1KMT2AALDH1A1HTT
SCHEMBL14313870 0.77 ALDH1A1 (0.44) NPSR1KMT2AALDH1A1HTTPOLB
SCHEMBL5820979 0.76 AKT1 (0.47) NPSR1AKT1KMT2AALDH1A1RAB9A
Phenol SCHEMBL29260292 0.74 TDP1 (0.42) NPSR1AKT1TRPM8KMT2AALDH1A1
SCHEMBL18935538 0.74 ALDH1A1 (0.37) KMT2AALDH1A1HTTPOLBGLA

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-6086764-A Semipermeable encapsulated membranes with improved acid and base stability process for their manufacture and their use CROSSWINDS, INC. (US) 2000-07-11 US claimed