SCHEMBL2992323

SCHEMBL2992323

COc1cccc(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
PARP1 P09874 1/20 0.51
KDM2B Q8NHM5 3/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HSD11B1 P28845 1/20 0.49
MGLL Q99685 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
FAAH O00519 1/20 0.48
CNR2 P34972 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
GRM5 P41594 1/20 0.46

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
SCHEMBL2992325 1.00 CES2 (0.54) CES2CES1PARP1KDM2BNPC1
SCHEMBL2992324 1.00 CES2 (0.54) CES2CES1PARP1KDM2BNPC1
SCHEMBL31636008 0.88 CES2 (0.65) CES2CES1PARP1KDM2BNPC1
SCHEMBL7309424 0.88 CES2 (0.65) CES2CES1PARP1KDM2BNPC1
SCHEMBL20934473 0.85 CES2 (0.54) CES2CES1PARP1KDM2BNPC1
SCHEMBL20934574 0.85 CES2 (0.54) CES2CES1PARP1KDM2BNPC1
SCHEMBL2992510 0.83 NPC1 (0.69) CES2CES1KDM2BNPC1RAB9A
SCHEMBL2992502 0.83 NPC1 (0.69) CES2CES1KDM2BNPC1RAB9A
SCHEMBL2992505 0.83 NPC1 (0.69) CES2CES1KDM2BNPC1RAB9A
SCHEMBL2987579 0.82 ALDH1A1 (0.53) PARP1NPC1RAB9AHSD11B1MGLL

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