SCHEMBL28431834

SCHEMBL28431834

C=C(C)CNCCc1ccc(O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.59
▸ ALOX15 P16050 5/20 0.59
▸ HIF1A Q16665 3/20 0.59
▸ HSD17B10 Q99714 3/20 0.59
▸ MAPK1 P28482 3/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ NFKB1 P19838 2/20 0.59
▸ THPO P40225 2/20 0.59
▸ TP53 P04637 1/20 0.59
▸ KDM4E B2RXH2 5/20 0.57
▸ LMNA P02545 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ BLM P54132 2/20 0.57
▸ GMNN O75496 2/20 0.57
▸ PMP22 Q01453 2/20 0.57
▸ GFER P55789 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL26292973 0.83 MAPT (0.66) MAPTALOX15HIF1AHSD17B10MAPK1
SCHEMBL11806768 0.82 DRD1 (0.71) MAPTALOX15HIF1AHSD17B10MAPK1
SCHEMBL30088530 0.82 DRD1 (0.71) MAPTALOX15HIF1AHSD17B10MAPK1
SCHEMBL11074753 0.80 MAPT (0.63) MAPTALOX15HIF1AHSD17B10MAPK1
Bromide SCHEMBL11805167 0.80 DRD1 (0.69) MAPTALOX15HIF1AHSD17B10MAPK1
SCHEMBL28773631 0.80 MAPT (0.53) MAPTALOX15HIF1AHSD17B10MAPK1
SCHEMBL12305065 0.79 MAPT (0.70) MAPTALOX15HIF1AHSD17B10MAPK1
SCHEMBL5285529 0.79 MAPT (0.67) MAPTALOX15HIF1AHSD17B10MAPK1
SCHEMBL30674028 0.79 MAPT (0.67) MAPTALOX15HIF1AHSD17B10MAPK1
SCHEMBL11811440 0.79 ADRB2 (0.73) MAPTALOX15HIF1AHSD17B10MAPK1

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
CN-111440519-B Preparation method of mussel-bionic-based long-term stable amphiphilic antifouling coating 东华大学 2021-08-31 — — CN disclosed
CN-111440519-A Preparation method of mussel-bionic-based long-term stable amphiphilic antifouling coating 东华大学 2020-07-24 — — CN disclosed
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