SCHEMBL8501573

SCHEMBL8501573

CC1(C(=O)CCC(=O)O)C=CC(c2ccccc2)C=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.37
KEAP1 Q14145 1/20 0.34
CYP2C19 P33261 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
FFAR1 O14842 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 2/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
HIF1A Q16665 1/20 0.33
TBXA2R P21731 1/20 0.33
DHFR P00374 1/20 0.33
OPRM1 P35372 1/20 0.33
APEX1 P27695 1/20 0.33
HDAC3 O15379 1/20 0.33
MAPK1 P28482 1/20 0.33
ADRA1A P35348 1/20 0.33
HDAC4 P56524 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL8502411 0.81 NR4A2 (0.37) NR4A2KEAP1CYP2C19ALDH1A1GAA
SCHEMBL11761413 0.81 NR4A2 (0.37) NR4A2KEAP1CYP2C19ALDH1A1GAA
SCHEMBL8501906 0.81 NR4A2 (0.34) NR4A2KEAP1CYP2C19ALDH1A1GAA
SCHEMBL8501778 0.81 NR4A2 (0.34) NR4A2KEAP1CYP2C19ALDH1A1GAA
SCHEMBL4371618 0.80 SLC9A1 (0.36) CYP2C19ALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL8499523 0.78 NR4A2 (0.34) NR4A2KEAP1CYP2C19ALDH1A1GAA
SCHEMBL5320069 0.76 LMNA (0.37) CYP2C19ALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL19746578 0.74 HTT (0.44) ALDH1A1SMN1; SMN2POLBTSHRKDM4E
SCHEMBL4229702 0.74 CETP (0.38) ALDH1A1MAPK1POLBL3MBTL1TSHR
SCHEMBL18601440 0.73 MAOB (0.40) ALDH1A1SMN1; SMN2HDAC3MAPK1HDAC4

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