SCHEMBL9306772

SCHEMBL9306772

CCCCCCCCCCCCCCCCCCc1cc(C)[c]c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.55
CYP3A4 P08684 2/20 0.52
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GPR84 Q9NQS5 2/20 0.46
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SHBG P04278 1/20 0.45

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
SCHEMBL9836104 1.00 PTGS2 (0.55) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL9836293 1.00 PTGS2 (0.55) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL17418145 1.00 PTGS2 (0.55) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL28488145 0.98 PTGS2 (0.54) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL2277083 0.93 HPGD (0.56) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL28826016 0.81 HTT (0.41) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL9122379 0.81 PTGS2 (0.70) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL8560359 0.81 PTGS2 (0.70) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL7628223 0.81 PTGS2 (0.70) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL25423627 0.81 HPGD (0.48) PTGS2CYP3A4NPC1HPGDMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5319016-A Blend of vinyl polymer, modified polyolefin and hydrogenated vinyl-aliphatic diene block polymer in solvent CHISSO CORPORATION (JP) 1994-06-07 US disclosed
EP-0406828-B1 Emulsion adhesive composition and process for production thereof CHISSO CORP (JP) 1994-05-11 EP disclosed
EP-0406828-A1 Emulsion adhesive composition and process for production thereof Chisso Corporation (JP) 1991-01-09 EP disclosed