SCHEMBL17514249

SCHEMBL17514249

C=CCn1ccc2cc(C(=O)O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 2/20 0.46
▸ PLG P00747 2/20 0.46
▸ PLAU P00749 2/20 0.46
▸ RAPGEF4 Q8WZA2 1/20 0.42
▸ PPARG P37231 2/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ TUBB4A P04350 2/20 0.40
▸ TUBB P07437 2/20 0.40
▸ TUBA3C P0DPH7 2/20 0.40
▸ TUBA1B P68363 2/20 0.40
▸ TUBA4A P68366 2/20 0.40
▸ TUBB4B P68371 2/20 0.40
▸ TUBB3 Q13509 2/20 0.40
▸ TUBB2A Q13885 2/20 0.40
▸ TUBB8 Q3ZCM7 2/20 0.40
▸ TUBA3E Q6PEY2 2/20 0.40
▸ TUBA1A Q71U36 2/20 0.40
▸ TUBA1C Q9BQE3 2/20 0.40

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
SCHEMBL28607801 0.83 KMT2A (0.60) PLA2G4APLGPLAURAPGEF4PPARG
SCHEMBL1664063 0.81 PLG (0.51) PLA2G4APLGPLAURAPGEF4PPARG
SCHEMBL5068315 0.81 TUBB4A (0.57) PLA2G4APLGPLAURAPGEF4PPARG
SCHEMBL4934703 0.80 PLA2G4A (0.55) PLA2G4APLGPLAURAPGEF4PPARA
SCHEMBL2983210 0.80 PLA2G4A (0.48) PLA2G4APLGPLAURAPGEF4PPARG
SCHEMBL5387474 0.80 TUBB4A (0.59) PLA2G4APLGPLAURAPGEF4PPARG
SCHEMBL4813289 0.78 PLG (0.55) PLA2G4APLGPLAUPPARGPPARD
SCHEMBL1749895 0.78 PLA2G4A (0.59) PLA2G4APLGPLAUPPARAMCL1
SCHEMBL15921713 0.77 PLA2G4A (0.55) PLA2G4APLGPLAURAPGEF4PPARG
SCHEMBL6752488 0.77 HTR2C (0.55) PLA2G4APLGPLAURAPGEF4

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
WO-2016027285-A2 BICYCLIC HETEROARYL AMIDES AS CATHEPSIN CYSTEINE PROTEASE INHIBITORS ALKEM LABORATORIES LTD. (IN) 2016-02-25 — — WO disclosed
Send feedback