SCHEMBL6840086

SCHEMBL6840086

CCCCCCCCc1ccc(C)c(S(=O)(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
ESR2 Q92731 1/20 0.48
KAT8 Q9H7Z6 2/20 0.47
PPARA Q07869 2/20 0.47
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46
HSPD1 P10809 1/20 0.46
ADRB3 P13945 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
SCHEMBL447196 1.00 POLB (0.48) POLBRECQLESR2KAT8PPARA
SCHEMBL6839192 0.98 POLB (0.49) POLBRECQLESR2KAT8PPARA
SCHEMBL4601026 0.94 POLB (0.50) POLBRECQLESR2CYP3A4KDM4E
SCHEMBL11960981 0.88 KAT8 (0.47) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL6839421 0.87 POLB (0.52) POLBRECQLESR2CYP3A4LMNA
SCHEMBL11718596 0.86 KAT8 (0.46) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL9139426 0.84 KAT8 (0.47) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL16341724 0.84 KAT8 (0.47) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL29405900 0.84 KAT8 (0.47) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL8369675 0.84 KAT8 (0.57) KAT8PPARAESR1ADRA2AADORA3

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