SCHEMBL8499414

SCHEMBL8499414

CO/N=C(\CCC(=O)O)C1(Cl)C=CC(c2ccccc2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
LMNA P02545 3/20 0.31
PPARA Q07869 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 2/20 0.31
FFAR1 O14842 1/20 0.31
CYP1A2 P05177 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
NR4A2 P43354 1/20 0.30
CACNA1D Q01668 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 0.84 NR4A2 (0.33) MAPTLMNAALDH1A1CYP2C19FFAR1
SCHEMBL8525874 0.72 NR4A2 (0.32) CYP2C19HIF1ANR4A2
SCHEMBL3583056 0.71 GRM1 (0.35) MAPTLMNAALDH1A1MAPK1CYP2C19
SCHEMBL8663987 0.71 NR4A2 (0.33) LMNAALDH1A1CYP2C19FFAR1CYP1A2
SCHEMBL8525557 0.71 DHFR (0.31) NR4A2
SCHEMBL8501573 0.70 NR4A2 (0.37) LMNAALDH1A1MAPK1CYP2C19FFAR1
SCHEMBL8526227 0.69 NR4A2 (0.32) NR4A2
SCHEMBL8499418 0.68 PTGES (0.34) MAPTLMNAPPARAALDH1A1MAPK1
SCHEMBL8501943 0.68 CYP1A2 (0.32) CYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL11761413 0.67 NR4A2 (0.37) MAPTLMNAALDH1A1MAPK1CYP2C19

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