SCHEMBL9408940

SCHEMBL9408940

CCCCCC/C(C(=O)O)=C(/C)c1ccc(C(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PGGT1B P53609 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PDE4B Q07343 1/20 0.43
CNR1 P21554 1/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC8 Q9BY41 2/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL8523377 0.96 THRB (0.49) THRBFNTAFNTBPGGT1BLMNA
SCHEMBL9408920 0.90 PDE4B (0.49) LMNAMAPTRAB9APDE4BHDAC1
SCHEMBL25303952 0.81 NR1I2 (0.54) THRBFNTAFNTBPGGT1BLMNA
SCHEMBL303214 0.81 NR1I2 (0.54) THRBFNTAFNTBPGGT1BLMNA
SCHEMBL7119167 0.79 HPGD (0.47) HPGDTP53TSHRPDE4BCNR1
SCHEMBL3250283 0.78 CA1 (0.53) MAPTRAB9APDE4BHDAC1HDAC8
SCHEMBL3250292 0.78 CA1 (0.53) MAPTRAB9APDE4BHDAC1HDAC8
SCHEMBL9815578 0.78 CES2 (0.57) THRBFNTAFNTBPGGT1BLMNA
SCHEMBL23934179 0.76 RAB9A (0.47) MEN1MAPTRAB9AKMT2AHPGD
SCHEMBL9522917 0.75 HDAC8 (0.69) MAPTRAB9APDE4BHDAC1HDAC8

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-0611786-A1 Orientation layer for liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1994-08-24 EP disclosed