SCHEMBL7567070

SCHEMBL7567070

CC(C)=CCCC(C)=CCCS(=O)(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
FNTA P49354 2/20 0.59
FNTB P49356 2/20 0.59
MAPT P10636 3/20 0.55
MEN1 O00255 3/20 0.55
CYP3A4 P08684 2/20 0.55
ALOX15 P16050 2/20 0.55
ALDH1A1 P00352 2/20 0.55
UGT1A1 P22309 1/20 0.55
SQLE Q14534 5/20 0.53
KDM4E B2RXH2 1/20 0.50
TRPA1 O75762 1/20 0.50

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
SCHEMBL21631814 1.00 KMT2A (0.61) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL7567068 1.00 KMT2A (0.61) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL7567063 1.00 KMT2A (0.61) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL11662430 0.87 FNTA (0.41) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL8624996 0.87 KMT2A (0.55) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL8624998 0.87 KMT2A (0.55) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL10047783 0.84 KMT2A (0.61) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL15298600 0.84 KMT2A (0.52) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL1762177 0.81 ICMT (0.64) KMT2AFNTAFNTBMAPTMEN1
Farnesol SCHEMBL27753682 0.78 KMT2A (0.77) KMT2AFNTAFNTBMAPTMEN1

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 3 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-0877732-A1 SULFONATE DERIVATIZED PERFUMES THE PROCTER & GAMBLE COMPANY (US) 1998-11-18 EP disclosed
WO-1997022580-A1 SULFONATE DERIVATIZED PERFUMES THE PROCTER & GAMBLE COMPANY (US) 1997-06-26 WO disclosed