SCHEMBL27872180

SCHEMBL27872180

C=CCc1ncc[nH]1.Cc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.41
HTR1A P08908 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TBXAS1 P24557 2/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL27469227 0.82 TAAR1 (0.44) TAAR1HTR1AKDM4EALDH1A1TBXAS1
Acetic Acid SCHEMBL27701881 0.81 TBXAS1 (0.45) TAAR1HTR1AKDM4EALDH1A1TBXAS1
Bicarbonate SCHEMBL28219611 0.81 TBXAS1 (0.47) TAAR1HTR1AKDM4EALDH1A1TBXAS1
Hydrochloric Acid SCHEMBL27535906 0.81 TAAR1 (0.43) TAAR1HTR1AKDM4EALDH1A1TBXAS1
SCHEMBL28000193 0.81 TAAR1 (0.44) TAAR1HTR1AKDM4EALDH1A1TBXAS1
SCHEMBL27301359 0.80 MYC (0.39) KDM4EALDH1A1TSHR
Benzene SCHEMBL2482857 0.80 TAAR1 (0.50) TAAR1HTR1ATBXAS1SMN1; SMN2TSHR
SCHEMBL27492811 0.79 TBXAS1 (0.49) TAAR1HTR1AKDM4EALDH1A1TBXAS1
Acrylic Acid SCHEMBL28317803 0.78 TBXAS1 (0.45) TAAR1HTR1AKDM4EALDH1A1TBXAS1
SCHEMBL27679224 0.77 ALDH1A1 (0.53) KDM4EALDH1A1GAASMN1; SMN2TSHR

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
CN-102690392-B Anion exchange membrane based on ionic liquid crosslinking agent and preparation method of anion exchange membrane UNIV SOOCHOW 2014-03-19 CN disclosed
CN-102690392-A Anion exchange membrane based on ionic liquid crosslinking agent and preparation method of anion exchange membrane UNIV SOOCHOW 2012-09-26 CN disclosed