SCHEMBL9499381

SCHEMBL9499381

CCCCCCCCc1c(C)cc(C)c(S(=O)(=O)OCCO)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
ALOX5 P09917 5/20 0.33
STS P08842 1/20 0.33
FUT7 Q11130 1/20 0.33
ESR1 P03372 1/20 0.33
SRC P12931 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
RARB P10826 1/20 0.32

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
SCHEMBL28975436 0.77 CA1 (0.43) MAPK1ESR1THRBCA1CA2
Ammonia Solution, Strong SCHEMBL28975437 0.76 CA1 (0.42) MAPK1ESR1THRBCA1CA2
SCHEMBL5321971 0.74 CA2 (0.44) LMNAMAPK1SMN1; SMN2ALOX5STS
SCHEMBL8592928 0.71 CA1 (0.46) MAPK1ESR1MAPTCA1CA2
SCHEMBL14763021 0.71 CA1 (0.46) MAPK1ESR1MAPTCA1CA2
SCHEMBL8732546 0.71 CCR5 (0.45) CYP3A4ALOX5SRCTHRB
SCHEMBL5271767 0.67 ALOX5 (0.47) ALDH1A1LMNACYP3A4MAPK1ALOX5
SCHEMBL10487831 0.67 CA2 (0.39) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL4685881 0.66 LIPG (0.43) ALOX5THRB
SCHEMBL4684141 0.66 ALDH1A1 (0.37) ALDH1A1LMNAMAPK1HTTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5187214-A Alkyl benzene sulfonates or alkane sulfonates for applying to or mixing into synthetic polymers PPG INDUSTRIES, INC. (US) 1993-02-16 US disclosed
US-5053531-A For use on synthetic polymer articles PPG INDUSTRIES, INC. (US) 1991-10-01 US disclosed
EP-0442948-A1 QUATERNARY AMMONIUM ANTISTATIC COMPOUNDS PPG INDUSTRIES, INC. (US) 1991-08-28 EP disclosed
WO-1990005129-A2 QUATERNARY AMMONIUM ANTISTATIC COMPOUNDS PPG INDUSTRIES, INC. (US) 1990-05-17 WO disclosed
US-4904825-A SALTS OF ALKYLBENZENE OR ALKANE SULFONATES; HEAT RESISTANCE; DECAY; POLYMER NONCONDUCTORS; TEXTILES; FIBERS PPG INDUSTRIES, INC. (US) 1990-02-27 US disclosed