SCHEMBL8501906

SCHEMBL8501906

CSC1(C(=O)CCC(=O)O)C=CC(c2ccccc2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.34
DHFR P00374 1/20 0.33
CYP2C19 P33261 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
KEAP1 Q14145 1/20 0.32
FFAR1 O14842 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
RAB9A P51151 1/20 0.31
HIF1A Q16665 1/20 0.31
OPRM1 P35372 1/20 0.31
APEX1 P27695 1/20 0.30
HDAC3 O15379 1/20 0.30
MAPK1 P28482 1/20 0.30
ADRA1A P35348 1/20 0.30
HDAC4 P56524 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 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
SCHEMBL8525557 0.84 DHFR (0.31) NR4A2DHFR
SCHEMBL4144364 0.82 ALDH1A1 (0.33) CYP2C19ALDH1A1GAASMN1; SMN2LMNA
SCHEMBL8501573 0.81 NR4A2 (0.37) NR4A2DHFRCYP2C19ALDH1A1GAA
Hydrochloric Acid SCHEMBL6619923 0.80 ALDH1A1 (0.33) ALDH1A1GAALMNA
SCHEMBL11761413 0.78 NR4A2 (0.37) NR4A2CYP2C19ALDH1A1GAAKEAP1
SCHEMBL8502411 0.78 NR4A2 (0.37) NR4A2CYP2C19ALDH1A1GAAKEAP1
SCHEMBL8501778 0.77 NR4A2 (0.34) NR4A2DHFRCYP2C19ALDH1A1GAA
SCHEMBL8499523 0.77 NR4A2 (0.34) NR4A2CYP2C19ALDH1A1GAAKEAP1
SCHEMBL4229702 0.70 CETP (0.38) ALDH1A1MAPK1KDM4E
SCHEMBL8525874 0.69 NR4A2 (0.32) 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