SCHEMBL4030227

SCHEMBL4030227

Cn1cc(CF)c(C(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.34
NOTUM Q6P988 4/20 0.33
PPARA Q07869 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 2/20 0.30
ALOX15 P16050 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
GABRA6 Q16445 1/20 0.30

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
SCHEMBL4026100 0.82
SCHEMBL4026102 0.82
SCHEMBL69773 0.78 NOTUM (0.44) NOTUMALDH1A1ALOX15L3MBTL1CYP1A2
SCHEMBL23772097 0.74 KDM4E (0.39) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL970535 0.74 HSP90AB1 (0.37) PPARGPPARAALDH1A1L3MBTL1
SCHEMBL5176186 0.72 ALDH1A1 (0.41) NOTUMALDH1A1ALOX15CYP1A2
SCHEMBL3669707 0.70 NOTUM (0.48) NOTUMALDH1A1ALOX15GABRPGABRD
SCHEMBL30516181 0.69 HMGB1 (0.39) ALDH1A1ALOX15GABRPGABRDGABRA1
SCHEMBL5175113 0.68 KDM4E (0.41) NOTUMALDH1A1ALOX15L3MBTL1GABRP
SCHEMBL4033104 0.68 NOTUM (0.33) NOTUMALDH1A1ALOX15CYP1A2

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
EP-1252140-B1 PYRROLECARBOXAMIDES AND PYRROLETHIOAMIDES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-05-13 EP claimed