SCHEMBL6041047

SCHEMBL6041047

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

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 10/20 0.65
▸ EGFR P00533 6/20 0.62
▸ ERBB2 P04626 3/20 0.62
▸ VCP P55072 1/20 0.61
▸ LMNA P02545 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ TTR P02766 1/20 0.58
▸ TP53 P04637 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ TLR4 O00206 1/20 0.57
▸ TLR2 O60603 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ ABL2 P42684 1/20 0.51

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
SCHEMBL11525619 1.00 FBP1 (0.65) FBP1EGFRERBB2VCPLMNA
SCHEMBL16267489 0.88 EGFR (0.65) FBP1EGFRERBB2VCPTLR4
SCHEMBL16267488 0.86 FBP1 (0.64) FBP1EGFRERBB2LMNAMAPT
SCHEMBL16267490 0.86 FBP1 (0.64) FBP1EGFRERBB2LMNAMAPT
SCHEMBL6041116 0.83 EGFR (0.69) FBP1EGFRERBB2VCPLMNA
SCHEMBL2451780 0.82 MAPT (0.81) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL11354408 0.82 MAPT (0.81) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL10941162 0.82 MAPT (0.81) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL3235505 0.81 FBP1 (0.68) FBP1EGFRERBB2VCPTLR4
SCHEMBL3235501 0.81 FBP1 (0.68) FBP1EGFRERBB2VCPTLR4

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
US-20060199255-A1 Reagents for improved cell-based assays BECKMAN COULTER INC. (US) 2006-09-07 — — US disclosed
US-4148795-A Dithiocarbamate ester bactericides and fungicides AMERICAN CYANAMID COMPANY (US) 1979-04-10 — — US disclosed
US-4038288-A DITHIOCARBAMATE ESTER BACTERICIDES AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1977-07-26 — — US disclosed
US-4011230-A DITHIOCARBAMATE ESTER BACTERICIDES AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1977-03-08 — — US disclosed
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