SCHEMBL13469404

SCHEMBL13469404

C/C=C/C=C/C=C\CC/C=C/C=C/C(=O)CCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.56
CNR1 P21554 8/20 0.56
PPARG P37231 2/20 0.54
PPARD Q03181 2/20 0.54
PPARA Q07869 2/20 0.54
TRPA1 O75762 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SOAT1 P35610 1/20 0.36
CA1 P00915 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
SCHEMBL13469394 1.00 CNR2 (0.56) CNR2CNR1PPARGPPARDPPARA
SCHEMBL15291032 1.00 CNR2 (0.56) CNR2CNR1PPARGPPARDPPARA
SCHEMBL13469398 0.93 CNR2 (0.53) CNR2CNR1PPARGPPARDPPARA
SCHEMBL13469393 0.87 CNR2 (0.47) CNR2CNR1PPARGPPARDPPARA
SCHEMBL14764161 0.77 PPARA (0.58) CNR2CNR1PPARGPPARDPPARA
SCHEMBL14764162 0.77 PPARA (0.58) CNR2CNR1PPARGPPARDPPARA
SCHEMBL31087828 0.76 OXER1 (0.45) CNR2CNR1PPARGPPARDPPARA
SCHEMBL4485413 0.76 CA1 (0.46) CNR2CNR1PPARGPPARDPPARA
SCHEMBL4485416 0.76 CA1 (0.46) CNR2CNR1PPARGPPARDPPARA
SCHEMBL6941507 0.73 KDM4E (0.51) CNR2CNR1PPARGPPARDPPARA

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-20120263808-A1 BIOAVAILABILITY ENHANCING COMPOUND WARNOCK W MATTHEW (US) 2012-10-18 US disclosed