SCHEMBL5701294

SCHEMBL5701294

CC(S)CCC(C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.56
CYP1A2 P05177 1/20 0.56
BLM P54132 1/20 0.48
ACE2 Q9BYF1 1/20 0.45
RNPEP Q9H4A4 2/20 0.44
LTA4H P09960 1/20 0.43
ENPEP Q07075 2/20 0.43
FOLH1 Q04609 1/20 0.39
ABCB11 O95342 1/20 0.38
F2 P00734 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2722608 0.87 BLM (0.59) GABRR1CYP1A2BLMACE2RNPEP
SCHEMBL5139179 0.85 GABRR1 (0.72) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL23235 0.78
SCHEMBL12894318 0.78
SCHEMBL14677969 0.78
SCHEMBL233225 0.77 BLM (0.73) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL580558 0.77 BLM (0.65) GABRR1CYP1A2BLMACE2RNPEP
SCHEMBL17285499 0.77 BLM (0.73) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL16330413 0.77 BLM (0.65) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL4636783 0.77 GABRR1 (0.62) GABRR1CYP1A2BLMACE2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006080984-A2 INKJET INK BINDER AND INKJET INK COMPOSITION LEXMARK INTERNATIONAL, INC. (US) 2006-08-03 WO disclosed
US-20060167137-A1 Inkjet ink binder and inkjet ink composition ROHM AND HAAS COMPANY 2006-07-27 US disclosed
US-20060167135-A1 Inkjet ink binder and inkjet ink composition LEXMARK INTERNATIONAL, INC. 2006-07-27 US disclosed
EP-1683843-A1 Inkjet ink binder and inkjet ink composition Rohm and Haas Company (US) 2006-07-26 EP disclosed