SCHEMBL7518558

SCHEMBL7518558

CS(=O)(=O)OC1(c2ccccc2)CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
AKR1C1 Q04828 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MMP2 P08253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL7518367 0.81 KMT2A (0.40) GAAMEN1KMT2APSEN1PSEN2
SCHEMBL6777548 0.76 AKR1C1 (0.37) AKR1C1MEN1KMT2ASMN1; SMN2
SCHEMBL18231167 0.74 HSD11B1 (0.39) GAAMCOLN3AKR1C1PSEN1PSEN2
SCHEMBL6021972 0.73 AKR1C1 (0.41) AKR1C1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL7576134 0.73 AKR1C1 (0.41) AKR1C1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL7894906 0.71 AKR1C1 (0.39) GAAAKR1C1TSHRMEN1KMT2A
SCHEMBL28564028 0.70 DRD3 (0.38) MEN1KMT2AALDH1A1
SCHEMBL778919 0.66 GAA (0.42) GAAMCOLN3AKR1C1PSEN1PSEN2
SCHEMBL11465523 0.66 HSD11B1 (0.39) AKR1C1TSHR
SCHEMBL116500 0.66 DPP4 (0.35) AKR1C1

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
EP-1019480-B1 SULFONATE PERFUMES FOR LAUNDRY AND CLEANING COMPOSITIONS PROCTER & GAMBLE (US) 2002-01-23 EP disclosed