SCHEMBL6709404

SCHEMBL6709404

CC(C)(C)c1cc(CC(=O)NC(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.53
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 7/20 0.46
TSHR P16473 3/20 0.46
MEN1 O00255 3/20 0.46
MAPK1 P28482 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
BLM P54132 2/20 0.46
ATM Q13315 2/20 0.46
HIF1A Q16665 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
CYP2D6 P10635 1/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CA2 P00918 2/20 0.46
POLB P06746 1/20 0.46
TYR P14679 1/20 0.46

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
SCHEMBL14586752 0.84 GAA (0.57) GAAKMT2AALDH1A1TSHRMEN1
SCHEMBL8340038 0.83 GAA (0.73) GAAKMT2AALDH1A1TSHRMEN1
SCHEMBL5741936 0.83 GAA (0.55) GAAKMT2AALDH1A1TSHRMEN1
SCHEMBL11329581 0.82 GAA (0.51) GAAKMT2AALDH1A1TSHRMEN1
SCHEMBL14586753 0.82 GAA (0.51) GAAKMT2AALDH1A1TSHRMEN1
SCHEMBL8606843 0.81 GAA (0.51) GAAKMT2AALDH1A1TSHRMEN1
SCHEMBL38555 0.80 ALDH1A1 (0.53) GAAKMT2AALDH1A1TSHRMEN1
SCHEMBL14184185 0.80 GAA (0.56) GAAKMT2AALDH1A1TSHRMEN1
Ammonia Solution, Strong SCHEMBL3948778 0.79 ALDH1A1 (0.52) GAAKMT2AALDH1A1TSHRMEN1
SCHEMBL9556746 0.79 CYP1A2 (0.49) GAAKMT2AALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092649-A1 Method for producing stable, colorless butadiene rubbers BAYER AKTIENGESELLSCHAFT (DE) 2004-05-13 US disclosed