SCHEMBL9931140

SCHEMBL9931140

C=CC(=O)OC(CCO)c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.36
SLC6A4 P31645 10/20 0.36
SLC6A3 Q01959 10/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KEAP1 Q14145 1/20 0.36
MLNR O43193 1/20 0.34
CACNA1F O60840 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRB1 P08588 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
DRD2 P14416 1/20 0.34
KCNE1 P15382 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL28643501 0.76 ALOX5 (0.43) CES2CES1KEAP1GAAKMT2A
SCHEMBL5247902 0.70 CES2 (0.42) SLC6A2SLC6A4SLC6A3CES2CES1
SCHEMBL5247893 0.69 CES2 (0.41) SLC6A2SLC6A4SLC6A3CES2CES1
SCHEMBL914754 0.69 CYP2C19 (0.51) GAACYP2C19HTTKMT2A
SCHEMBL4640223 0.68 ALOX5 (0.42) SLC6A2SLC6A4SLC6A3CES2CES1
Hydrochloric Acid SCHEMBL5286030 0.66 ALOX5 (0.41) SLC6A2SLC6A4SLC6A3CES2CES1
SCHEMBL2461302 0.66 GSR (0.47) CYP1A2CYP2D6CYP2C19
SCHEMBL3898505 0.66 CACNA2D1 (0.47) CACNA2D1ALOX5
SCHEMBL3898507 0.66 CACNA2D1 (0.47) CACNA2D1ALOX5
SCHEMBL3229012 0.66 NPC1 (0.53) SLC6A2SLC6A4SLC6A3CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8728326-B2 Polymer and methods for preparing and using the same GENERAL ELECTRIC COMPANY (US) 2014-05-20 US disclosed
US-20120152851-A1 POLYMER AND METHODS FOR PREPARING AND USING THE SAME BL TECHNOLOGIES, INC. 2012-06-21 US disclosed
WO-2012082400-A2 POLYMER AND METHODS FOR PREPARING AND USING THE SAME GENERAL ELECTRIC COMPANY (US) 2012-06-21 WO disclosed