SCHEMBL13828461

SCHEMBL13828461

CC1C=CC(CC(=O)O)C(C(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.33
SLC1A2 P43004 1/20 0.33
THPO P40225 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
GRIK1 P39086 1/20 0.33
GRM5 P41594 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
BLM P54132 1/20 0.33
GRIK2 Q13002 1/20 0.33
GRIK3 Q13003 1/20 0.33
GRIK4 Q16099 1/20 0.33

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
SCHEMBL284782 0.76 GABRR1 (0.36) ALDH1A1LMNAGRM2GRM3GABRR1
SCHEMBL23655448 0.75 GRM2 (0.32) GRM2GRM3GABRR1GABRR2
SCHEMBL27825601 0.75 GABRR1 (0.34) ALDH1A1LMNAGRM2GRM3GABRR1
SCHEMBL13077342 0.74 POLB (0.46) MEN1KMT2ASLC1A2ALDH1A1LMNA
SCHEMBL19604954 0.71 GABRR1 (0.34) ALDH1A1LMNAGRM2GRM3GABRR1
Hydrochloric Acid SCHEMBL9659824 0.69 GABRR1 (0.43) MEN1KMT2ASLC1A2ALDH1A1LMNA
SCHEMBL27276054 0.68 MAPT (0.33) HSD11B1MEN1KMT2AMAPK1TSHR
SCHEMBL8926578 0.66 CYP1A2 (0.37) MEN1KMT2AMAPK1TSHRALDH1A1
SCHEMBL440352 0.65
SCHEMBL5521450 0.65

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9660277-B2 Methods for inhibiting corrosion in brazed metal surfaces and coolants and additives for use therein PRESTONE PRODUCTS CORPORATION (US) 2017-05-23 US disclosed
US-20120288404-A1 Methods For Inhibiting Corrosion In Brazed Metal Surfaces And Coolants And Additives For Use Therein PRESTONE PRODUCTS CORP. (US) 2012-11-15 US disclosed