SCHEMBL7364028

SCHEMBL7364028

CSc1ccc(C=C[N+](=O)[O-])cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 6/20 0.49
EGFR P00533 2/20 0.46
SYK P43405 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GALR2 O43603 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FBP1 P09467 7/20 0.46
TLR4 O00206 2/20 0.42
TLR2 O60603 2/20 0.42
PDE4B Q07343 1/20 0.40
ABL1 P00519 1/20 0.40
ABL2 P42684 1/20 0.40
NPC1 O15118 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7364026 1.00 VCP (0.49) VCPEGFRSYKALDH1A1MAPT
SCHEMBL13677650 0.84 VCP (0.52) VCPEGFRSYKALDH1A1MAPT
SCHEMBL7390829 0.82 VCP (0.70) VCPEGFRSYKALDH1A1MAPT
SCHEMBL7361007 0.82 VCP (0.70) VCPEGFRSYKALDH1A1MAPT
SCHEMBL7355608 0.82 VCP (0.70) VCPEGFRSYKALDH1A1MAPT
SCHEMBL4891193 0.82 VCP (0.70) VCPEGFRSYKALDH1A1MAPT
SCHEMBL7358653 0.81 VCP (0.49) VCPEGFRSYKALDH1A1MAPT
SCHEMBL7398936 0.81 VCP (0.52) VCPEGFRSYKALDH1A1MAPT
SCHEMBL7358656 0.81 VCP (0.49) VCPEGFRSYKALDH1A1MAPT
SCHEMBL7398937 0.81 VCP (0.52) VCPEGFRSYKALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538384-A4 OXAMIDES SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP disclosed
US-5393788-A Phenylalkyl oxamides SMITHKLINE BEECHAM CORPORATION (US) 1995-02-28 US disclosed
EP-0538384-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-28 EP disclosed
WO-1992000968-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 WO disclosed