SCHEMBL5498658

SCHEMBL5498658

CC(CCC1OCCO1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.45
CYP1A2 P05177 1/20 0.45
BLM P54132 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ACE2 Q9BYF1 1/20 0.37
LTA4H P09960 1/20 0.36
FOLH1 Q04609 2/20 0.31
NAALAD2 Q9Y3Q0 2/20 0.31
ENPEP Q07075 2/20 0.31

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
SCHEMBL24328830 0.88 BLM (0.46) GABRR1CYP1A2BLMALDH1A1ACE2
SCHEMBL27129610 0.88 BLM (0.46) GABRR1CYP1A2BLMALDH1A1ACE2
SCHEMBL29256541 0.81 GABRR1 (0.36) GABRR1CYP1A2BLMALDH1A1ACE2
SCHEMBL10418773 0.80 ENPEP (0.32) ENPEP
SCHEMBL25661119 0.78 ALDH1A1 (0.41) GABRR1CYP1A2BLMALDH1A1FOLH1
SCHEMBL826512 0.75 GSR (0.45) CYP1A2BLMALDH1A1
SCHEMBL15634459 0.75 GSR (0.45) CYP1A2BLMALDH1A1
SCHEMBL8269587 0.75 PIK3CD (0.31)
SCHEMBL5139179 0.74 GABRR1 (0.72) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL26189391 0.73 GABRR1 (0.43) GABRR1CYP1A2BLMALDH1A1ACE2

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-1399124-B1 STABLE TRANSPARENT PERFUMING EMULSION FIRMENICH & CIE (CH) 2007-10-10 EP disclosed
US-7226901-B2 Stable transparent perfuming emulsion FIRMENICH SA (CH) 2007-06-05 US disclosed
US-6403109-B1 SUBSTANTIALLY FREE OF VOLATILE ORGANIC SOLVENTS, OIL IN WATER EMULSION OR WATER IN OIL EMULSION; UREA, A DIOL, A TRIOL OR A POLYOL; VOLATILE SILICONE FLUID SUCH AS DECAMETHYL TETRASILOXANE, OCTAMETHYLCYCLOTETRASILOXANE FIRMENICH SA (CH) 2002-06-11 US disclosed