SCHEMBL9513744

SCHEMBL9513744

CCCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)cc2F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.60
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPK1 P28482 1/20 0.56
CASP1 P29466 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SLCO1B3 Q9NPD5 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56
RARA P10276 2/20 0.54
RARG P13631 1/20 0.54
S1PR1 P21453 2/20 0.48
S1PR3 Q99500 2/20 0.48
PTPN11 Q06124 2/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NR5A1 Q13285 1/20 0.43

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
SCHEMBL10529774 0.92 RARB (0.57) RARBMEN1USP2ALDH1A1LMNA
SCHEMBL10527538 0.92 RARB (0.57) RARBMEN1USP2ALDH1A1LMNA
SCHEMBL17445757 0.92 RARB (0.63) RARBMEN1USP2ALDH1A1LMNA
SCHEMBL15581295 0.91 RARB (0.51) RARBMEN1USP2ALDH1A1LMNA
SCHEMBL9512322 0.91 RARB (0.55) RARBMEN1USP2ALDH1A1LMNA
SCHEMBL9513778 0.91 RARB (0.55) RARBMEN1USP2ALDH1A1LMNA
SCHEMBL10695533 0.91 RARB (0.53) RARBMEN1USP2ALDH1A1LMNA
SCHEMBL9496973 0.91 RARB (0.57) RARBMEN1USP2ALDH1A1LMNA
SCHEMBL18310406 0.90 RARB (0.54) RARBMEN1USP2ALDH1A1LMNA
SCHEMBL21321658 0.90 RARB (0.54) RARBMEN1USP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0391986-B1 DISPLAY ELEMENT BASED ON THE ELECTROCLINIC EFFECT MERCK PATENT GMBH (DE) 1993-12-08 EP disclosed
EP-0357702-B1 FLUORINATED OLIGOPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 1992-08-12 EP disclosed
US-5116527-A Liquid crystal mixture of two chiral components and one non-chiral componene MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-05-26 US disclosed
EP-0391986-A1 DISPLAY ELEMENT BASED ON THE ELECTROCLINIC EFFECT. MERCK PATENT GMBH (DE) 1990-10-17 EP disclosed
EP-0357702-A1 FLUORINATED OLIGOPHENYL DERIVATIVES. MERCK PATENT GMBH (DE) 1990-03-14 EP disclosed
WO-1989011451-A1 DISPLAY ELEMENT BASED ON THE ELECTROCLINIC EFFECT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-11-30 WO disclosed
WO-1989006678-A1 FLUORINATED OLIGOPHENYL DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-07-27 WO disclosed