SCHEMBL2980746

SCHEMBL2980746

O=C(O)C1CCC(C(=O)c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.56
AKR1C1 Q04828 1/20 0.56
HTR2A P28223 1/20 0.45
CPB1 P15086 1/20 0.45
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
MCL1 Q07820 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MGLL Q99685 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD11B1 P28845 1/20 0.44
MEN1 O00255 1/20 0.44
SLC18A3 Q16572 1/20 0.43
ELANE P08246 1/20 0.42

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
SCHEMBL2980743 1.00 AKR1C3 (0.56) AKR1C3AKR1C1HTR2ACPB1CES2
SCHEMBL2980744 1.00 AKR1C3 (0.56) AKR1C3AKR1C1HTR2ACPB1CES2
SCHEMBL1865557 0.92 AKR1C3 (0.49) AKR1C3AKR1C1HTR2ACPB1MCL1
SCHEMBL1865563 0.92 AKR1C3 (0.49) AKR1C3AKR1C1HTR2ACPB1MCL1
SCHEMBL1865559 0.92 AKR1C3 (0.49) AKR1C3AKR1C1HTR2ACPB1MCL1
SCHEMBL11792229 0.88 AKR1C3 (0.49) AKR1C3AKR1C1HTR2ACPB1MCL1
SCHEMBL439217 0.88 NPC1 (0.52) AKR1C3AKR1C1HTR2ACPB1CES2
SCHEMBL3515355 0.88 NPC1 (0.52) AKR1C3AKR1C1HTR2ACPB1CES2
SCHEMBL407216 0.88 NPC1 (0.52) AKR1C3AKR1C1HTR2ACPB1CES2
SCHEMBL18428493 0.85 HTR2A (0.56) HTR2ACPB1MCL1MGLLKMT2A

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