SCHEMBL7056375

SCHEMBL7056375

CCCCCCCCOc1ccc(-c2ccccc2F)c(-c2ccc(CCCCC)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.50
PTPN11 Q06124 3/20 0.47
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
PDK2 Q15119 2/20 0.46
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
PTPN1 P18031 1/20 0.43
MCL1 Q07820 1/20 0.42
RARA P10276 1/20 0.42
RARG P13631 1/20 0.42

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
SCHEMBL7061091 0.91 RARB (0.48) RARBPTPN11MEN1USP2ALDH1A1
SCHEMBL7735955 0.88 RARB (0.53) RARBPTPN11MEN1USP2ALDH1A1
SCHEMBL17445757 0.85 RARB (0.63) RARBPTPN11MEN1USP2ALDH1A1
SCHEMBL9227413 0.84 FAAH (0.46) RARBPTPN11PDK2
SCHEMBL9226620 0.84 FAAH (0.46) RARBPTPN11PDK2
SCHEMBL7061692 0.84 RARB (0.46) RARBPTPN11MEN1USP2ALDH1A1
SCHEMBL9225509 0.84 RARB (0.52) RARBRARARARGGPR3
SCHEMBL9220480 0.84 RARB (0.52) RARBRARARARGGPR3
SCHEMBL9225269 0.83 LTA4H (0.46) PTPN11ALDH1A1LMNAPDK2PTPN1
SCHEMBL9221861 0.83 RARB (0.50) RARBMEN1ALDH1A1CYP3A4KMT2A

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