SCHEMBL1699771

SCHEMBL1699771

CCCCCCCC(C)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
NAAA Q02083 1/20 0.43
CNR2 P34972 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41
BCL2 P10415 1/20 0.41
MCL1 Q07820 1/20 0.41
AKR1C3 P42330 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL1699722 0.89 ALDH1A1 (0.45) ALDH1A1CES2CES1PRSS1PRSS2
SCHEMBL15367482 0.87 PPARG (0.47) ALDH1A1CES2CES1PRSS1PRSS2
SCHEMBL28882597 0.87 PPARG (0.47) ALDH1A1CES2CES1PRSS1PRSS2
SCHEMBL945388 0.87 PPARG (0.47) ALDH1A1CES2CES1PRSS1PRSS2
SCHEMBL6680902 0.87 ALDH1A1 (0.59) ALDH1A1PRSS1PRSS2PRSS3CNR2
SCHEMBL31347664 0.85 PPARG (0.45) ALDH1A1CES2CES1PRSS1PRSS2
SCHEMBL6680659 0.85 ALDH1A1 (0.57) ALDH1A1PRSS1PRSS2PRSS3CNR2
SCHEMBL12274715 0.84 CYSLTR2 (0.50) ALDH1A1CES2CES1PRSS1PRSS2
SCHEMBL10941152 0.84 ALDH1A1 (0.45) ALDH1A1CES2CES1PRSS1PRSS2
SCHEMBL10941421 0.84 ALDH1A1 (0.45) ALDH1A1CES2CES1PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011162836-A1 METHOD FOR EXTRACTING A METAL PARTICULATE FROM AN AQUEOUS SOLUTION USING A SOL-GEL DERIVED SORBENT ABS MATERIALS, INC (US) 2011-12-29 WO claimed
WO-2011162836-A1 METHOD FOR EXTRACTING A METAL PARTICULATE FROM AN AQUEOUS SOLUTION USING A SOL-GEL DERIVED SORBENT ABS MATERIALS, INC (US) 2011-12-29 WO disclosed