SCHEMBL2992502

SCHEMBL2992502

COc1ccc(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
GAA P10253 2/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 4/20 0.54
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
HSD11B1 P28845 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MGLL Q99685 1/20 0.50
KDM2B Q8NHM5 3/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.45

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
SCHEMBL2992505 1.00 NPC1 (0.69) NPC1RAB9AGAAPOLBALDH1A1
SCHEMBL2992510 1.00 NPC1 (0.69) NPC1RAB9AGAAPOLBALDH1A1
Bicarbonate SCHEMBL11475731 0.86 NPC1 (0.83) NPC1RAB9AGAAPOLBALDH1A1
SCHEMBL1148371 0.86 NPC1 (0.89) NPC1RAB9AGAAPOLBALDH1A1
SCHEMBL5350433 0.86 NPC1 (0.89) NPC1RAB9AGAAPOLBALDH1A1
SCHEMBL5350428 0.86 NPC1 (0.89) NPC1RAB9AGAAPOLBALDH1A1
SCHEMBL20934472 0.84 NPC1 (0.69) NPC1RAB9AGAAPOLBALDH1A1
SCHEMBL1373430 0.83 ALDH1A1 (0.61) NPC1RAB9AGAAPOLBALDH1A1
SCHEMBL2992324 0.83 CES2 (0.54) NPC1RAB9AKMT2ACES2CES1
SCHEMBL2992323 0.83 CES2 (0.54) NPC1RAB9AKMT2ACES2CES1

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