SCHEMBL10697420

SCHEMBL10697420

CC(C)(C)c1cc(CCC(=O)O)cc(C(C)(C)C)c1O.CCCCCCCCCCCCCCC(O)=S.CCCCCCCCCCCCCCC(O)=S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
KMT2A Q03164 3/20 0.52
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
AGTR1 P30556 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
VCAM1 P19320 1/20 0.43
MEN1 O00255 2/20 0.42
GPR84 Q9NQS5 6/20 0.40
PPARG P37231 6/20 0.40
PPARD Q03181 6/20 0.40
PPARA Q07869 6/20 0.40
HDAC11 Q96DB2 5/20 0.40
TSHR P16473 4/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
FABP4 P15090 2/20 0.40

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
SCHEMBL10503515 0.94 GAA (0.47) GAAKMT2ATHRATHRBALDH1A1
SCHEMBL10503165 0.94 GAA (0.47) GAAKMT2ATHRATHRBALDH1A1
SCHEMBL10503914 0.94 GAA (0.47) GAAKMT2ATHRATHRBALDH1A1
SCHEMBL10502931 0.94 GAA (0.47) GAAKMT2ATHRATHRBALDH1A1
SCHEMBL10504650 0.94 GAA (0.47) GAAKMT2ATHRATHRBALDH1A1
SCHEMBL10503621 0.94 GAA (0.47) GAAKMT2ATHRATHRBALDH1A1
SCHEMBL10505704 0.94 GAA (0.47) GAAKMT2ATHRATHRBALDH1A1
SCHEMBL10503562 0.94 GAA (0.47) GAAKMT2ATHRATHRBALDH1A1
SCHEMBL10503756 0.94 GAA (0.47) GAAKMT2ATHRATHRBALDH1A1
SCHEMBL10503047 0.94 GAA (0.47) GAAKMT2ATHRATHRBALDH1A1

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-4772741-A STABILIZERS FOR POLYMERS MILLINCKRODT, INC. (US) 1988-09-20 US disclosed