SCHEMBL6041116

SCHEMBL6041116

CCC(=O)Oc1ccc(C=C[N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.69
▸ ERBB2 P04626 5/20 0.69
▸ VCP P55072 1/20 0.64
▸ FBP1 P09467 7/20 0.59
▸ TLR4 O00206 2/20 0.53
▸ TLR2 O60603 2/20 0.53
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ ABL1 P00519 1/20 0.48
▸ ABL2 P42684 1/20 0.48

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
SCHEMBL5929272 0.85 EGFR (0.70) EGFRERBB2VCPFBP1TLR4
SCHEMBL11236291 0.84 EGFR (0.75) EGFRERBB2VCPFBP1TLR4
SCHEMBL11236295 0.84 EGFR (0.75) EGFRERBB2VCPFBP1TLR4
SCHEMBL5070896 0.84 KMT2A (0.61) EGFRERBB2KMT2AALDH1A1LMNA
SCHEMBL6584626 0.83 TLR4 (0.64) EGFRERBB2VCPFBP1TLR4
SCHEMBL5929443 0.83 EGFR (0.74) EGFRERBB2VCPFBP1TLR4
SCHEMBL6041047 0.83 FBP1 (0.65) EGFRERBB2VCPFBP1TLR4
SCHEMBL11525619 0.83 FBP1 (0.65) EGFRERBB2VCPFBP1TLR4
SCHEMBL16267488 0.82 FBP1 (0.64) EGFRERBB2FBP1TLR4TLR2
SCHEMBL16267490 0.82 FBP1 (0.64) EGFRERBB2FBP1TLR4TLR2

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
US-20060199255-A1 Reagents for improved cell-based assays BECKMAN COULTER INC. (US) 2006-09-07 — — US disclosed
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