SCHEMBL9986129

SCHEMBL9986129

CCC=CC=CC=CCCC=CCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.50
TRPA1 O75762 1/20 0.43
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 6/20 0.37
TSHR P16473 1/20 0.37
CYP19A1 P11511 4/20 0.36
PPARG P37231 3/20 0.36
OXER1 Q8TDS5 3/20 0.36
MAPT P10636 3/20 0.36
RXRA P19793 2/20 0.36
FFAR1 O14842 2/20 0.36
PTGS1 P23219 3/20 0.33
F7 P08709 3/20 0.33
F3 P13726 3/20 0.33
KMT2A Q03164 2/20 0.33
PPARD Q03181 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 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
SCHEMBL9986126 1.00 PPARA (0.50) PPARATRPA1CNR1CNR2ALDH1A1
SCHEMBL6276024 0.88 ALDH1A1 (0.44) PPARATRPA1ALDH1A1TSHRCYP19A1
SCHEMBL1080822 0.88 PPARA (0.52) PPARATRPA1CNR1CNR2ALDH1A1
SCHEMBL1080824 0.88 PPARA (0.52) PPARATRPA1CNR1CNR2ALDH1A1
SCHEMBL6276025 0.88 ALDH1A1 (0.44) PPARATRPA1ALDH1A1TSHRCYP19A1
SCHEMBL24235179 0.84 PPARA (0.48) PPARATRPA1CNR1CNR2ALDH1A1
SCHEMBL13637803 0.84 ALDH1A1 (0.58) PPARATRPA1CNR1CNR2ALDH1A1
SCHEMBL4437781 0.84 ALDH1A1 (0.58) PPARATRPA1CNR1CNR2ALDH1A1
SCHEMBL4437779 0.84 ALDH1A1 (0.58) PPARATRPA1CNR1CNR2ALDH1A1
SCHEMBL2363268 0.83 ALDH1A1 (0.43) PPARATRPA1ALDH1A1CYP19A1PPARG

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-8211514-B2 Reverse dispersion retardation film and liquid crystal display device using the same JX NIPPON OIL & ENERGY CORPORATION (JP) 2012-07-03 US disclosed