SCHEMBL7518367

SCHEMBL7518367

Cc1ccc(S(=O)(=O)OC2(c3ccccc3)CCCCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C19 P33261 2/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 2/20 0.36
VDR P11473 1/20 0.36
MMP2 P08253 2/20 0.35
HTT P42858 2/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
GAA P10253 1/20 0.34
KEAP1 Q14145 1/20 0.34

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
SCHEMBL7518558 0.81 GAA (0.34) KMT2ASMN1; SMN2ALDH1A1MEN1MMP2
SCHEMBL6777548 0.70 AKR1C1 (0.37) KMT2ASMN1; SMN2MEN1
SCHEMBL28482203 0.70 GAA (0.41) KMT2AALDH1A1MEN1MMP2PSEN1
SCHEMBL7056971 0.70 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2PTGS2ALDH1A1MEN1
SCHEMBL10880135 0.69 VDR (0.38) KMT2ASMN1; SMN2CYP2C19ALDH1A1MEN1
SCHEMBL7751891 0.69 OPRM1 (0.41) KMT2ASMN1; SMN2CYP2C19ALDH1A1MEN1
SCHEMBL10945615 0.69 KMT2A (0.43) KMT2ASMN1; SMN2CYP2C19PTGS2ALDH1A1
SCHEMBL10611492 0.68 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2PTGS2ALDH1A1MEN1
SCHEMBL1041612 0.68 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2CYP2C19ALDH1A1MEN1
SCHEMBL6742236 0.68 VDR (0.37) KMT2ASMN1; SMN2CYP2C19ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877732-B1 SULFONATE DERIVATIZED PERFUMES PROCTER & GAMBLE (US) 2002-04-17 EP disclosed
EP-1019480-B1 SULFONATE PERFUMES FOR LAUNDRY AND CLEANING COMPOSITIONS PROCTER & GAMBLE (US) 2002-01-23 EP disclosed
EP-1019480-A1 SULFONATE PERFUMES FOR LAUNDRY AND CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-07-19 EP disclosed
EP-0877732-A1 SULFONATE DERIVATIZED PERFUMES THE PROCTER & GAMBLE COMPANY (US) 1998-11-18 EP disclosed
EP-0876133-A1 SULFONATE PERFUMES FOR DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-11-11 EP disclosed
US-5716918-A LAUNDRY PRODUCT; CONTAINING SULFONATE THE PROCTER & GAMBLE COMPANY (US) 1998-02-10 US disclosed
US-5710122-A Sulfonate derivatized perfumes THE PROCTER & GAMBLE COMPANY (US) 1998-01-20 US disclosed
US-5670466-A HYDROLYZE TO RELEASE ALCOHOLIC PERFUME THE PROCTER & GAMBLE COMPANY (US) 1997-09-23 US disclosed
WO-1997022682-A1 SULFONATE PERFUMES FOR LAUNDRY AND CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-06-26 WO disclosed
WO-1997022330-A2 SULFONATE PERFUMES FOR DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-06-26 WO disclosed
WO-1997022580-A1 SULFONATE DERIVATIZED PERFUMES THE PROCTER & GAMBLE COMPANY (US) 1997-06-26 WO disclosed