SCHEMBL6405870

SCHEMBL6405870

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

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.96
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
ALDH1A1 P00352 6/20 0.53
OXER1 Q8TDS5 6/20 0.53
CYP19A1 P11511 4/20 0.53
PPARG P37231 3/20 0.53
MAPT P10636 3/20 0.53
RXRA P19793 2/20 0.53
FFAR1 O14842 2/20 0.53
PTGS1 P23219 4/20 0.50
F7 P08709 3/20 0.50
F3 P13726 3/20 0.50
KMT2A Q03164 2/20 0.50
PPARD Q03181 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL5886676 1.00 PPARA (0.96) PPARACNR1CNR2ALDH1A1OXER1
SCHEMBL2745188 0.98 PPARA (1.00) PPARACNR1CNR2ALDH1A1OXER1
SCHEMBL2745181 0.98 PPARA (1.00) PPARACNR1CNR2ALDH1A1OXER1
SCHEMBL2744282 0.96 PPARA (0.96) PPARACNR1CNR2ALDH1A1OXER1
SCHEMBL2745442 0.93 PPARA (0.83) PPARACNR1CNR2ALDH1A1OXER1
SCHEMBL2745447 0.93 PPARA (0.83) PPARACNR1CNR2ALDH1A1OXER1
SCHEMBL2745445 0.93 PPARA (0.83) PPARACNR1CNR2ALDH1A1OXER1
SCHEMBL4445477 0.92 PPARA (0.89) PPARACNR1CNR2ALDH1A1OXER1
SCHEMBL13674213 0.92 PPARA (0.89) PPARACNR1CNR2ALDH1A1OXER1
SCHEMBL4445473 0.92 PPARA (0.89) PPARACNR1CNR2ALDH1A1OXER1

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-20050014826-A1 Synthesis of polyconjugated fatty acids THE BOARD OF TRUSTEES OPERATING MICHIGAN STATUE UNIVERSITY (US) 2005-01-20 US disclosed