SCHEMBL6839192

SCHEMBL6839192

CCCCCc1ccc(C)c(S(=O)(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.49
ESR2 Q92731 1/20 0.49
CA2 P00918 1/20 0.46
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
KAT8 Q9H7Z6 2/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SKP2 Q13309 1/20 0.44
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
RARB P10826 1/20 0.43
ESR1 P03372 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A2 P23975 2/20 0.43

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
SCHEMBL6840086 0.98 POLB (0.48) POLBRECQLESR2CA2CYP3A4
SCHEMBL447196 0.98 POLB (0.48) POLBRECQLESR2CA2CYP3A4
SCHEMBL4601026 0.95 POLB (0.50) POLBRECQLESR2CA2CYP3A4
SCHEMBL6839421 0.88 POLB (0.52) POLBRECQLESR2CA2CYP3A4
SCHEMBL11960981 0.86 KAT8 (0.47) CA2CYP3A4KAT8PPARAALDH1A1
SCHEMBL11718596 0.84 KAT8 (0.46) CA2CYP3A4KAT8PPARAALDH1A1
SCHEMBL16341724 0.83 KAT8 (0.47) CA2CYP3A4KAT8PPARAALDH1A1
SCHEMBL9139426 0.83 KAT8 (0.47) CA2CYP3A4KAT8PPARAALDH1A1
SCHEMBL29405900 0.83 KAT8 (0.47) CA2CYP3A4KAT8PPARAALDH1A1
SCHEMBL8369675 0.83 KAT8 (0.57) CA2CYP3A4KAT8PPARAALDH1A1

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-20040116618-A1 Polycarbonate resin composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-17 US disclosed
EP-1384755-A1 POLYCARBONATE RESIN COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-01-28 EP disclosed