SCHEMBL7061091

SCHEMBL7061091

CCCCCCOc1ccc(-c2cccc(F)c2F)c(-c2ccc(CCCCC)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.48
PTPN11 Q06124 5/20 0.45
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 2/20 0.42
PDK2 Q15119 2/20 0.42
PLA2G4B P0C869 1/20 0.41
TSHR P16473 1/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40

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
SCHEMBL7061692 0.93 RARB (0.46) RARBPTPN11MEN1USP2ALDH1A1
SCHEMBL7056375 0.91 RARB (0.50) RARBPTPN11MEN1USP2ALDH1A1
SCHEMBL7059029 0.83 RARB (0.48) RARBMEN1ALDH1A1MAPK1KMT2A
SCHEMBL17445757 0.83 RARB (0.63) RARBPTPN11MEN1USP2ALDH1A1
SCHEMBL7735955 0.83 RARB (0.53) RARBPTPN11MEN1USP2ALDH1A1
SCHEMBL9497150 0.82 NR5A1 (0.49) RARBPTPN11CYP3A4PLA2G4BTSHR
SCHEMBL9494859 0.82 NR5A1 (0.49) RARBPTPN11CYP3A4PLA2G4BTSHR
SCHEMBL6656815 0.82 NR5A1 (0.49) RARBPTPN11CYP3A4PLA2G4BTSHR
SCHEMBL10536207 0.82 NR5A1 (0.49) RARBPTPN11CYP3A4PLA2G4BTSHR
SCHEMBL9493967 0.82 NR5A1 (0.49) RARBPTPN11CYP3A4PLA2G4BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086194-B1 MONOSTABLE FERROELECTRIC ACTIVE MATRIX DISPLAY AVENTIS RES & TECH GMBH & CO (DE) 2003-05-21 EP disclosed
US-6551668-B1 Monodomain liquid crystal layer with an unambiguously defined direction of the layer normal z of the smectite phase wherein the layer normal z and the preferential direction n of the nematic or cholesteric phase (N* phase) form an angle of >/= 5 AVENTIS RESEARCH & TECHNOLOGIES (DE) 2003-04-22 US disclosed