SCHEMBL29370405

SCHEMBL29370405

COc1ccc(NC(=O)N2CCc3ccccc3C2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.74
TAAR1 Q96RJ0 1/20 0.74
RAB9A P51151 10/20 0.72
NPC1 O15118 9/20 0.72
NAMPT P43490 1/20 0.71
THRB P10828 1/20 0.70
KMT2A Q03164 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.65
TAS1R3 Q7RTX0 2/20 0.65
TAS1R1 Q7RTX1 2/20 0.65
TAS1R2 Q8TE23 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.64
TP53 P04637 1/20 0.64
MAPK1 P28482 1/20 0.62
TRPV1 Q8NER1 1/20 0.62
MEN1 O00255 1/20 0.62
GAA P10253 1/20 0.62

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
SCHEMBL6220228 0.85 NPC1 (0.56) ALDH1A1TAAR1RAB9ANPC1NAMPT
SCHEMBL3706875 0.83 NAMPT (1.00) NAMPT
SCHEMBL14433857 0.81 TAS1R3 (0.76) TAAR1RAB9ANPC1THRBSMN1; SMN2
SCHEMBL3695600 0.80 NAMPT (0.82) ALDH1A1RAB9ANPC1NAMPTTHRB
SCHEMBL29370491 0.80 RAB9A (0.70) ALDH1A1RAB9ANPC1NAMPTKMT2A
SCHEMBL5522728 0.79 RAB9A (1.00) ALDH1A1RAB9ANPC1NAMPTKMT2A
SCHEMBL11503430 0.79 L3MBTL1 (0.79) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL23709316 0.79 RAB9A (0.69) ALDH1A1RAB9ANPC1NAMPTKMT2A
SCHEMBL701823 0.79 TAS1R3 (1.00) ALDH1A1TAAR1RAB9ANPC1NAMPT
SCHEMBL10226339 0.79 RAB9A (1.00) ALDH1A1RAB9ANPC1NAMPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217412-A1 WASTE MITIGATION METHODS AND MATERIALS Finite Research Ltd (GB) 2023-08-02 EP disclosed
CN-115353667-A Method and material for reducing waste 李蓁蓁 2022-11-18 CN disclosed
WO-2022023916-A1 WASTE MITIGATION METHODS AND MATERIALS LI, Zhenzhen (CN) 2022-02-03 WO disclosed