SCHEMBL9775797

SCHEMBL9775797

Cc1[nH]cnc1CCC(/C(=C\C(=O)O)C(=O)O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
GABRR1 P24046 1/20 0.36
HTR3A P46098 3/20 0.35
CTSA P10619 3/20 0.35
CTSL P07711 3/20 0.35
CTSK P43235 3/20 0.35
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
CTSS P25774 2/20 0.35
ECE1 P42892 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
HRH2 P25021 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
Fumaric Acid SCHEMBL9656237 0.70 HTR3A (0.47) GABRR1HTR3AHTR3EHTR3BHTR3D
Maleic Acid SCHEMBL9656231 0.70 HTR3A (0.47) GABRR1HTR3AHTR3EHTR3BHTR3D
Fumaric Acid SCHEMBL9657347 0.62 HTR3E (0.53) GABRR1HTR3AHTR3EHTR3BHTR3D
Maleic Acid SCHEMBL9657342 0.62 HTR3E (0.53) GABRR1HTR3AHTR3EHTR3BHTR3D
Oxalic Acid SCHEMBL5157364 0.61 GABRR1 (0.61) GABRR1HTR3AHTR3EHTR3BHTR3D
SCHEMBL6736196 0.61 HRH4 (0.44) GABRR1HTR3AHTR3EHTR3BHTR3D
SCHEMBL7763092 0.61 CTSK (0.49) PPARGPPARACTSACTSLCTSK
SCHEMBL11336370 0.61 GABRR1 (0.47) GABRR1HTR3AHTR3EHTR3BHTR3D
SCHEMBL20553863 0.60 AKR1C3 (0.51) PPARGPPARACTSLCTSKCTSS
SCHEMBL23870893 0.60 GABRR1 (0.47) GABRR1HTR3ACTSLCTSKHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5019586-A 5-Hydroxytryptamine Receptor Antagonists GLAXO GROUP LIMITED 1991-05-28 US disclosed