SCHEMBL2996249

SCHEMBL2996249

CCc1ccccc1C(=O)C1CCC(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
AKR1C1 Q04828 1/20 0.46
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
SLC6A1 P30531 4/20 0.43
ALDH1A1 P00352 1/20 0.41
CLCN2 P51788 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2996251 1.00 AKR1C3 (0.46) AKR1C3AKR1C1CASP1CASP7SLC6A1
SCHEMBL2996246 1.00 AKR1C3 (0.46) AKR1C3AKR1C1CASP1CASP7SLC6A1
SCHEMBL3681679 0.87 NPSR1 (0.41) CASP1CASP7SLC6A1ALDH1A1CLCN2
SCHEMBL2996419 0.86 AKR1C3 (0.45) AKR1C3AKR1C1CASP1CASP7ALDH1A1
SCHEMBL2996406 0.81 AKR1C3 (0.49) AKR1C3AKR1C1SLC6A1ALDH1A1RAB9A
SCHEMBL2996403 0.81 AKR1C3 (0.49) AKR1C3AKR1C1SLC6A1ALDH1A1RAB9A
SCHEMBL2996404 0.81 AKR1C3 (0.49) AKR1C3AKR1C1SLC6A1ALDH1A1RAB9A
SCHEMBL25936797 0.80 KMT2A (0.44) SLC6A1ALDH1A1KDM2BSLC6A2SLC6A4
SCHEMBL2994576 0.75 TAS1R3 (0.43) AKR1C3AKR1C1SLC6A1ALDH1A1MEN1
SCHEMBL2994577 0.75 TAS1R3 (0.43) AKR1C3AKR1C1SLC6A1ALDH1A1MEN1

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