SCHEMBL4802675

SCHEMBL4802675

CC(C)(C)c1cccc2c1C(c1ccccc1)C(=O)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM2 Q14416 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR2B P41595 1/20 0.33
CYP19A1 P11511 1/20 0.32
IDO1 P14902 1/20 0.32
CYP2C9 P11712 1/20 0.32
CA2 P00918 1/20 0.32
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL1233033 0.87 IDO1 (0.34) GAAMAPTMEN1KMT2AGRM2
SCHEMBL2935832 0.87 MEN1 (0.37) GAACYP3A4MAPTMEN1KMT2A
SCHEMBL1144737 0.85 MAPT (0.42) MAPTKMT2ASMN1; SMN2ABL1RIN1
SCHEMBL8431458 0.82 GAA (0.35) GAAHTR2BNPSR1
SCHEMBL1274016 0.82 KDM4E (0.41) GAAMAPTMEN1KMT2ALMNA
SCHEMBL8856144 0.81 GAA (0.46) GAACYP3A4MAPTMEN1KMT2A
SCHEMBL7759240 0.79 CYP3A4 (0.36) GAACYP3A4SMN1; SMN2ALDH1A1ALDH2
SCHEMBL6402971 0.76 CA2 (0.38) GRM2CA2ALDH1A1NPSR1TSHR
SCHEMBL12231012 0.76 GAA (0.45) GAACYP3A4MAPTMEN1KMT2A
SCHEMBL5603503 0.76 CA2 (0.34) CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1969097-A1 STABILIZED BIODIESEL FUEL COMPOSITIONS Ciba Specialty Chemicals Holding Inc. (CH) 2008-09-17 EP claimed
WO-2007077165-A1 STABILIZED BIODIESEL FUEL COMPOSITIONS CIBA HOLDING INC. (CH) 2007-07-12 WO claimed
EP-1969097-A1 STABILIZED BIODIESEL FUEL COMPOSITIONS Ciba Specialty Chemicals Holding Inc. (CH) 2008-09-17 EP disclosed
WO-2007077165-A1 STABILIZED BIODIESEL FUEL COMPOSITIONS CIBA HOLDING INC. (CH) 2007-07-12 WO disclosed