SCHEMBL2133134

SCHEMBL2133134

NCC(O)CN(C(CC(=O)O)C(=O)O)C(CC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.54
LMNA P02545 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7807211 0.78 GABRR1 (0.38) GABRR1LMNASLC22A6SMN1; SMN2CACNA2D1
SCHEMBL1997913 0.78 GABRR1 (0.38) GABRR1LMNASLC22A6SMN1; SMN2CACNA2D1
SCHEMBL5319076 0.78 GABRR1 (0.38) GABRR1LMNASLC22A6SMN1; SMN2CACNA2D1
SCHEMBL8080978 0.74 GABRP (0.39) GABRR1SMN1; SMN2CACNA2D1CACNB3CACNA1C
SCHEMBL16163213 0.72 TDP1 (0.43) GABRR1LMNASLC22A6SMN1; SMN2ADRA1A
Gamma-Amino-Beta-Hydroxybutyric Acid SCHEMBL10421299 0.71 GABRR1 (1.00) GABRR1LMNASLC22A6SMN1; SMN2CACNA2D1
Gamma-Amino-Beta-Hydroxybutyric Acid SCHEMBL1555143 0.71
Gamma-Amino-Beta-Hydroxybutyric Acid SCHEMBL2940090 0.71
Gamma-Amino-Beta-Hydroxybutyric Acid SCHEMBL38621 0.71
SCHEMBL8073102 0.71 LMNA (0.38) GABRR1LMNASMN1; SMN2TDP1GABBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162498-A1 METHOD FOR IMPROVED OIL RECOVERY IN SUBTERRANEAN FORMATIONS WITH CIRCUMNEUTRAL pH FLOOD HALLIBURTON ENERGY SERVICES, INC. 2022-05-26 US claimed
US-10577535-B2 Substantially solid acidizing composition for treatment of subterranean formations HALLIBURTON ENERGY SERVICES, INC. (US) 2020-03-03 US claimed
WO-2013115981-A1 TREATMENT FLUIDS CONTAINING A BORON TRIFLUORIDE COMPLEX AND METHODS FOR USE THEREOF HALLIBURTON ENERGY SERVICES, INC. (US) 2013-08-08 WO claimed
EP-1041439-A1 Method of processing color reversal films with reduced iron retention EASTMAN KODAK COMPANY (US) 2000-10-04 EP claimed
US-20220162498-A1 METHOD FOR IMPROVED OIL RECOVERY IN SUBTERRANEAN FORMATIONS WITH CIRCUMNEUTRAL pH FLOOD HALLIBURTON ENERGY SERVICES, INC. 2022-05-26 US disclosed
US-10633575-B2 Stimulation of wells in nano-darcy shale formations FLEX-CHEM HOLDING COMPANY, LLC (US) 2020-04-28 US disclosed
US-20180155613-A1 Stimulation of Wells in Nano-Darcy Shale Formations FLEX-CHEM HOLDING COMPANY, LLC 2018-06-07 US disclosed
US-20120097392-A1 Treatment Fluids Containing Biodegradable Chelating Agents and Methods for Use Thereof HALLIBURTON ENERGY SERVICES, INC. (US) 2012-04-26 US disclosed
EP-1041439-A1 Method of processing color reversal films with reduced iron retention EASTMAN KODAK COMPANY (US) 2000-10-04 EP disclosed