SCHEMBL9513738

SCHEMBL9513738

CCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCC(C)CC)cc3)cc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.49
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
RARA P10276 2/20 0.44
RARG P13631 1/20 0.44
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
PLA2G4A P47712 1/20 0.42
PTPN11 Q06124 2/20 0.41
FDFT1 P37268 1/20 0.37

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
SCHEMBL9514992 0.99 RARB (0.47) RARBMEN1USP2ALDH1A1LMNA
SCHEMBL7057349 0.99 RARB (0.47) RARBMEN1USP2ALDH1A1LMNA
SCHEMBL9229613 0.96 RARB (0.49) RARBMEN1USP2ALDH1A1LMNA
SCHEMBL9225615 0.95 RARB (0.47) RARBMEN1USP2ALDH1A1LMNA
SCHEMBL10336144 0.95 RARB (0.50) RARBMEN1USP2ALDH1A1LMNA
SCHEMBL10336291 0.94 S1PR1 (0.48) RARBMEN1USP2ALDH1A1LMNA
SCHEMBL9224177 0.92 RARB (0.45) RARBALDH1A1CYP3A4RARAS1PR1
SCHEMBL9230366 0.92 RARB (0.45) RARBALDH1A1CYP3A4RARAS1PR1
SCHEMBL9513744 0.89 RARB (0.60) RARBMEN1USP2ALDH1A1LMNA
SCHEMBL10527704 0.88 RARB (0.46) 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 5 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-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