SCHEMBL2996416

SCHEMBL2996416

O=C(O)[C@@H]1CC[C@H](C(=O)c2ccccc2C=S)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.49
AKR1C1 Q04828 1/20 0.49
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ACE P12821 1/20 0.36
PDK2 Q15119 1/20 0.35
LTA4H P09960 2/20 0.34
NOTUM Q6P988 1/20 0.33
STS P08842 4/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.32
CPB1 P15086 1/20 0.32

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
SCHEMBL2996404 0.76 AKR1C3 (0.49) AKR1C3AKR1C1RAB9ANPC1ALDH1A1
SCHEMBL2996406 0.76 AKR1C3 (0.49) AKR1C3AKR1C1RAB9ANPC1ALDH1A1
SCHEMBL2996403 0.76 AKR1C3 (0.49) AKR1C3AKR1C1RAB9ANPC1ALDH1A1
SCHEMBL2996246 0.74 AKR1C3 (0.46) AKR1C3AKR1C1RAB9ANPC1ALDH1A1
SCHEMBL2996251 0.74 AKR1C3 (0.46) AKR1C3AKR1C1RAB9ANPC1ALDH1A1
SCHEMBL2996249 0.74 AKR1C3 (0.46) AKR1C3AKR1C1RAB9ANPC1ALDH1A1
SCHEMBL2980746 0.73 AKR1C3 (0.56) AKR1C3AKR1C1RAB9ANPC1CPB1
SCHEMBL2980743 0.73 AKR1C3 (0.56) AKR1C3AKR1C1RAB9ANPC1CPB1
SCHEMBL2980744 0.73 AKR1C3 (0.56) AKR1C3AKR1C1RAB9ANPC1CPB1
SCHEMBL2996419 0.73 AKR1C3 (0.45) AKR1C3AKR1C1RAB9ANPC1ACE

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