SCHEMBL8525874

SCHEMBL8525874

CC(C)(C)C1(/C(CCC(=O)O)=N/O)C=CC(c2ccccc2)C=C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.32
RIPK1 Q13546 2/20 0.32
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
PKM P14618 1/20 0.30
RBP4 P02753 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
SCHEMBL8526227 0.87 NR4A2 (0.32) NR4A2
SCHEMBL8501778 0.85 NR4A2 (0.34) NR4A2RIPK1CYP2C19HIF1ARBP4
SCHEMBL6843332 0.81 NR4A2 (0.33) NR4A2CYP2C19HIF1A
SCHEMBL8663987 0.81 NR4A2 (0.33) NR4A2CYP2C19HIF1A
SCHEMBL8525557 0.81 DHFR (0.31) NR4A2
SCHEMBL8499414 0.72 MAPT (0.32) NR4A2CYP2C19HIF1A
SCHEMBL8501573 0.72 NR4A2 (0.37) NR4A2CYP2C19HIF1A
SCHEMBL8501943 0.70 CYP1A2 (0.32) CYP2C19
SCHEMBL5014696 0.70 POLB (0.33) RIPK1CYP2C19
SCHEMBL11761413 0.69 NR4A2 (0.37) NR4A2CYP2C19HIF1A

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