SCHEMBL29279591

SCHEMBL29279591

COc1[c]c(OC)cc(C=C[N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 11/20 0.54
VCP P55072 4/20 0.54
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
EGFR P00533 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GALR2 O43603 1/20 0.50
SYK P43405 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MITF O75030 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PRMT1 Q99873 1/20 0.44
ABL1 P00519 1/20 0.42
ABL2 P42684 1/20 0.42
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42

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
SCHEMBL29279535 1.00 FBP1 (0.54) FBP1VCPALDH1A1LMNAMAPT
SCHEMBL233940 0.80 VCP (0.56) FBP1VCPALDH1A1LMNAMAPT
SCHEMBL233939 0.80 VCP (0.56) FBP1VCPALDH1A1LMNAMAPT
SCHEMBL6169341 0.79 VCP (0.68) FBP1VCPALDH1A1LMNAMAPT
SCHEMBL6169337 0.79 VCP (0.68) FBP1VCPALDH1A1LMNAMAPT
SCHEMBL334577 0.78 FBP1 (0.70) FBP1VCPALDH1A1LMNAMAPT
SCHEMBL334578 0.78 FBP1 (0.70) FBP1VCPALDH1A1LMNAMAPT
SCHEMBL18106628 0.77 FBP1 (0.53) FBP1VCPALDH1A1LMNAMAPT
SCHEMBL16785314 0.77 FBP1 (0.53) FBP1VCPALDH1A1LMNAMAPT
SCHEMBL25178513 0.75 VCP (0.68) FBP1VCPALDH1A1LMNAMAPT

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
CN-117642379-A Phenylalkylamines and methods of making and using the same 吉尔伽美什制药公司 2024-03-01 CN disclosed