SCHEMBL7054030

SCHEMBL7054030

CCCCCCCCCCCOc1ccc(-c2cccc(C(C)C(=O)O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.57
RARB P10826 3/20 0.56
PLA2G4B P0C869 3/20 0.50
LMNA P02545 1/20 0.50
GPR88 Q9GZN0 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
FAAH O00519 1/20 0.49
PTPN11 Q06124 1/20 0.49
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
CYSLTR2 Q9NS75 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.48

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
SCHEMBL9000258 0.87 RARB (0.65) PTGS2RARBPLA2G4BLMNAGPR88
SCHEMBL31261551 0.86 PTGS2 (0.64) PTGS2
SCHEMBL7136782 0.83 RARB (0.52) RARBPLA2G4BTP53TSHRPTPN11
SCHEMBL6414796 0.83 LMNA (0.64) RARBPLA2G4BLMNAGPR88TP53
SCHEMBL14599980 0.83 LMNA (0.64) RARBPLA2G4BLMNAGPR88TP53
SCHEMBL7136440 0.82 RARB (0.50) RARBPLA2G4BTP53TSHRPTPN11
SCHEMBL9861070 0.81 LMNA (0.62) RARBPLA2G4BLMNAGPR88TP53
SCHEMBL7141297 0.81 RARB (0.49) RARBPLA2G4BTSHRPTPN11PTGES
Bicarbonate SCHEMBL7805312 0.80 RARB (0.74) RARBPLA2G4BTP53TSHRFAAH
SCHEMBL9585079 0.80 AKR1C3 (0.72) PTGS2PLA2G4BLMNATP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105444-B1 LIQUID CRYSTAL POLYMERS QINETIQ LTD (GB) 2003-05-07 EP disclosed
US-6511612-B1 Cyclopolymerization of a diallylamine derivative containing pendant mesogenic groups; optical recording media QINETIQ LIMITED (GB) 2003-01-28 US disclosed
EP-1105444-A1 LIQUID CRYSTAL POLYMERS THE SECRETARY OF STATE FOR DEFENCE (GB) 2001-06-13 EP disclosed
WO-2000006666-A1 LIQUID CRYSTAL POLYMERS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-02-10 WO disclosed