SCHEMBL28304342

SCHEMBL28304342

NC(=O)CCC(=O)N(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
ESR1 P03372 7/20 0.39
ESR2 Q92731 7/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BLM P54132 2/20 0.35
PEPD P12955 1/20 0.35
MPO P05164 1/20 0.35
CYP3A4 P08684 1/20 0.35
KDM5A P29375 1/20 0.35
GFER P55789 1/20 0.35
PMP22 Q01453 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL31319816 0.91 CA2 (0.42) CA2ESR1ESR2NPC1RAB9A
SCHEMBL3350100 0.82 ALDH1A1 (0.57) NPC1RAB9AALDH1A1POLBHTT
SCHEMBL1916613 0.80 ALDH1A1 (0.43) NPC1RAB9AALDH1A1POLBHTT
SCHEMBL9854655 0.76 HSD17B3 (0.55) ESR1ESR2ALDH1A1CYP3A4HIF1A
SCHEMBL11417635 0.74 ESR1 (0.43) CA2ESR1ESR2NPC1RAB9A
SCHEMBL28277184 0.74 ALDH1A1 (0.35) NPC1RAB9AALDH1A1POLBHTT
SCHEMBL19963116 0.74 NPSR1 (0.52) ESR1ESR2NPC1RAB9AALDH1A1
SCHEMBL4138868 0.73 NPSR1 (0.55) NPC1RAB9AALDH1A1POLBHTT
SCHEMBL28517078 0.72 ESR1 (0.41) ESR1ESR2ALDH1A1CYP3A4LMNA
SCHEMBL10596450 0.72 NPSR1 (0.53) NPC1RAB9AALDH1A1POLBHTT

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
CN-109843380-A Copolymer compositions for coating and adhesive applications 美国陶氏有机硅公司 2019-06-04 CN claimed
CN-109715692-A Skin contact adhesive and its preparation and application 美国陶氏有机硅公司 2019-05-03 CN claimed
CN-109715692-A Skin contact adhesive and its preparation and application 美国陶氏有机硅公司 2019-05-03 CN disclosed