SCHEMBL9640217

SCHEMBL9640217

CCCCCCCCCCCCc1ccc(OC(=O)c2ccc(-c3ccc(OCCCCCCCC)c(F)c3)cc2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.53
RARA P10276 2/20 0.53
RARG P13631 1/20 0.53
PTPN11 Q06124 3/20 0.51
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
S1PR1 P21453 2/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MTOR P42345 1/20 0.47
KMT2A Q03164 1/20 0.47
S1PR2 O95136 1/20 0.47
S1PR3 Q99500 1/20 0.47
LPAR2 Q9HBW0 1/20 0.47
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 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
SCHEMBL9640171 1.00 RARB (0.53) RARBRARARARGPTPN11THRA
SCHEMBL9641132 1.00 RARB (0.53) RARBRARARARGPTPN11THRA
SCHEMBL9641043 1.00 RARB (0.53) RARBRARARARGPTPN11THRA
SCHEMBL9641079 1.00 RARB (0.53) RARBRARARARGPTPN11THRA
SCHEMBL9641411 1.00 RARB (0.53) RARBRARARARGPTPN11THRA
SCHEMBL9641076 1.00 RARB (0.53) RARBRARARARGPTPN11THRA
SCHEMBL9641456 1.00 RARB (0.53) RARBRARARARGPTPN11THRA
SCHEMBL9641185 1.00 RARB (0.53) RARBRARARARGPTPN11THRA
SCHEMBL9477545 1.00 RARB (0.53) RARBRARARARGPTPN11THRA
SCHEMBL9640636 1.00 RARB (0.53) RARBRARARARGPTPN11THRA

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
EP-0357702-B1 FLUORINATED OLIGOPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 1992-08-12 EP disclosed
EP-0357702-A1 FLUORINATED OLIGOPHENYL DERIVATIVES. MERCK PATENT GMBH (DE) 1990-03-14 EP disclosed
WO-1989006678-A1 FLUORINATED OLIGOPHENYL DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-07-27 WO disclosed