SCHEMBL28796350

SCHEMBL28796350

Cc1c(C(=O)O)cccc1C(=O)O.N#CCCc1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
TBXAS1 P24557 2/20 0.41
TAAR1 Q96RJ0 6/20 0.40
HTR1A P08908 1/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KEAP1 Q14145 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAMPT P43490 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
TSHR P16473 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
SCHEMBL28000193 0.84 TAAR1 (0.44) KDM5AKDM5BTBXAS1TAAR1HTR1A
SCHEMBL27492811 0.82 TBXAS1 (0.49) TBXAS1TAAR1HTR1AFNTAFNTB
SCHEMBL27850692 0.81 TBXAS1 (0.48) TBXAS1TAAR1HTR1AFNTAFNTB
SCHEMBL27469227 0.80 TAAR1 (0.44) TBXAS1TAAR1HTR1AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL27535906 0.79 TAAR1 (0.43) TBXAS1TAAR1HTR1AKDM4EALDH1A1
SCHEMBL28198348 0.79 TBXAS1 (0.40) TBXAS1TAAR1HTR1AKDM4EALDH1A1
SCHEMBL1003186 0.78
SCHEMBL27872180 0.77 TAAR1 (0.41) TBXAS1TAAR1HTR1AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL30509739 0.76 TERT (0.46) TBXAS1TAAR1HTR1ASMN1; SMN2
SCHEMBL27756617 0.76 TBXAS1 (0.49) TBXAS1TAAR1HTR1AFNTAFNTB

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-102559210-B Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element CHI MEI CORP 2015-07-08 CN disclosed
CN-102559210-A Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element CHI MEI CORP 2012-07-11 CN disclosed