SCHEMBL8663987

SCHEMBL8663987

O=C(O)CC/C(=N\O)C1(Br)C=CC(c2ccccc2)C=C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CYP2C19 P33261 1/20 0.31
KEAP1 Q14145 1/20 0.31
KDM1A O60341 1/20 0.30
USP5 P45974 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
FFAR1 O14842 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL6843332 0.83 NR4A2 (0.33) NR4A2ALDH1A1GAACYP2C19KEAP1
SCHEMBL8502411 0.82 NR4A2 (0.37) NR4A2ALDH1A1GAACYP2C19KEAP1
SCHEMBL8526227 0.81 NR4A2 (0.32) NR4A2
SCHEMBL8525874 0.81 NR4A2 (0.32) NR4A2CYP2C19HIF1A
SCHEMBL8525557 0.80 DHFR (0.31) NR4A2
SCHEMBL8499414 0.71 MAPT (0.32) NR4A2ALDH1A1CYP2C19FFAR1LMNA
SCHEMBL8501573 0.71 NR4A2 (0.37) NR4A2ALDH1A1GAACYP2C19KEAP1
SCHEMBL11761413 0.71 NR4A2 (0.37) NR4A2ALDH1A1GAACYP2C19KEAP1
SCHEMBL8501906 0.68 NR4A2 (0.34) NR4A2ALDH1A1GAACYP2C19KEAP1
SCHEMBL8501778 0.68 NR4A2 (0.34) NR4A2ALDH1A1GAACYP2C19KEAP1

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
EP-0927156-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-07 EP disclosed
WO-1998009940-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO disclosed