SCHEMBL8533019

SCHEMBL8533019

C/C=C/C=CCNC/C=C/C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.38
CNR1 P21554 7/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
GABRR1 P24046 2/20 0.37
GABRR2 P28476 2/20 0.37
BLM P54132 2/20 0.37
GABRR3 A8MPY1 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
APEX1 P27695 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPA1 O75762 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SOAT1 P35610 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8091033 1.00 CNR2 (0.38) CNR2CNR1PPARAPPARGPPARD
SCHEMBL8091035 1.00 CNR2 (0.38) CNR2CNR1PPARAPPARGPPARD
SCHEMBL585109 0.82 TSHR (0.50) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL585108 0.82 TSHR (0.50) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL8084261 0.78 TSHR (0.38) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL8530023 0.78 TSHR (0.38) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL8084257 0.78 TSHR (0.38) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL9480609 0.78 SOAT1 (0.38) CNR2CNR1PPARAPPARGPPARD
SCHEMBL9480599 0.78 SOAT1 (0.38) CNR2CNR1PPARAPPARGPPARD
SCHEMBL669179 0.77 CNR2 (0.50) CNR2CNR1PPARAPPARGPPARD

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
US-5739339-A BACTERICIDES, ANTIPROTOZOA AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
US-5679675-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed