SCHEMBL2996419

SCHEMBL2996419

O=C(O)C1CCC(C(=O)c2ccccc2CS)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
AKR1C1 Q04828 1/20 0.45
ALDH1A1 P00352 2/20 0.40
FOLH1 Q04609 1/20 0.39
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ACE P12821 1/20 0.36
DCLRE1A Q6PJP8 1/20 0.36
DCLRE1B Q9H816 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
IDO1 P14902 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
GRIK1 P39086 2/20 0.34
NOTUM Q6P988 1/20 0.33

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
SCHEMBL2996249 0.86 AKR1C3 (0.46) AKR1C3AKR1C1ALDH1A1RAB9ANPC1
SCHEMBL2996246 0.86 AKR1C3 (0.46) AKR1C3AKR1C1ALDH1A1RAB9ANPC1
SCHEMBL2996251 0.86 AKR1C3 (0.46) AKR1C3AKR1C1ALDH1A1RAB9ANPC1
SCHEMBL2996406 0.76 AKR1C3 (0.49) AKR1C3AKR1C1ALDH1A1RAB9ANPC1
SCHEMBL2996403 0.76 AKR1C3 (0.49) AKR1C3AKR1C1ALDH1A1RAB9ANPC1
SCHEMBL2996404 0.76 AKR1C3 (0.49) AKR1C3AKR1C1ALDH1A1RAB9ANPC1
SCHEMBL2980746 0.73 AKR1C3 (0.56) AKR1C3AKR1C1RAB9ANPC1
SCHEMBL2980743 0.73 AKR1C3 (0.56) AKR1C3AKR1C1RAB9ANPC1
SCHEMBL2980744 0.73 AKR1C3 (0.56) AKR1C3AKR1C1RAB9ANPC1
SCHEMBL2996416 0.73 AKR1C3 (0.49) AKR1C3AKR1C1ALDH1A1RAB9ANPC1

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
US-8444774-B2 Flux composition and process for use thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-05-21 US disclosed
US-7780801-B2 for soldering flip chip surfaces; fluxing agent comprises keto acid such as levulinic acid or acetylbutyric acid; mixture of tacky solvent (ethoxylated glycerol) with non-tacky solvent (methanol) INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-08-24 US disclosed
US-20100175790-A1 New Flux Composition and Process For Use Thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-07-15 US disclosed
US-20080124568-A1 New flux composition and process for use thereof GLOBALFOUNDRIES INC. (KY) 2008-05-29 US disclosed