SCHEMBL15437699

SCHEMBL15437699

C=CC(=O)OCCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.59
TSHR P16473 7/20 0.47
ALDH1A1 P00352 6/20 0.47
CYP3A4 P08684 3/20 0.47
HPGD P15428 1/20 0.44
KMT2A Q03164 4/20 0.42
HIF1A Q16665 4/20 0.42
MEN1 O00255 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
CYP1A2 P05177 2/20 0.42
MAPK1 P28482 2/20 0.42
BLM P54132 2/20 0.42
ATM Q13315 2/20 0.42
USP2 O75604 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 3/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 3/20 0.39
LMNA P02545 3/20 0.39

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
SCHEMBL10651744 0.96 GAA (0.60) GAATSHRALDH1A1CYP3A4HPGD
SCHEMBL11668133 0.94 GAA (0.55) GAATSHRALDH1A1CYP3A4HPGD
SCHEMBL5412953 0.90 GAA (0.56) GAATSHRALDH1A1CYP3A4HPGD
SCHEMBL13006817 0.89 GAA (0.50) GAATSHRALDH1A1CYP3A4HPGD
SCHEMBL2612492 0.85 GAA (0.51) GAATSHRALDH1A1CYP3A4KMT2A
SCHEMBL2265057 0.84 GAA (0.55) GAATSHRALDH1A1CYP3A4HPGD
SCHEMBL11308351 0.84 GAA (0.49) GAATSHRALDH1A1CYP3A4HPGD
SCHEMBL11653541 0.83 ALDH1A1 (0.50) GAATSHRALDH1A1CYP3A4HPGD
SCHEMBL2612497 0.82 GAA (0.44) GAATSHRALDH1A1CYP3A4HPGD
SCHEMBL27881180 0.82 GAA (0.44) GAATSHRALDH1A1CYP3A4HPGD

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
US-9168710-B2 Motor-vehicle top PARAT BETEILIGUNGS GMBH (DE) 2015-10-27 US disclosed
US-20140028048-A1 MOTOR-VEHICLE TOP PARAT TECHNOLOGY GROUP GMBH (DE) 2014-01-30 US disclosed