SCHEMBL10528441

SCHEMBL10528441

CCCCCCSC1(OC(=S)c2ccc(CCCCC)cc2)C=CC(c2ccccc2)=CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RARA P10276 1/20 0.36
MAPT P10636 1/20 0.36
MTOR P42345 1/20 0.36
KMT2A Q03164 1/20 0.36
THRA P10827 3/20 0.35
THRB P10828 3/20 0.35
HAO1 Q9UJM8 1/20 0.34
NR5A2 O00482 1/20 0.34
HTR2A P28223 1/20 0.33
PLK1 P53350 3/20 0.33
PLK3 Q9H4B4 3/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL10528322 1.00 RARB (0.36) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10528321 1.00 RARB (0.36) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10526100 1.00 RARB (0.36) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10527656 1.00 RARB (0.36) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10529767 1.00 RARB (0.36) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10525862 1.00 RARB (0.36) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10525937 1.00 RARB (0.36) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10527623 1.00 RARB (0.36) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10526247 1.00 RARB (0.36) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10530123 1.00 RARB (0.36) RARBMEN1ALDH1A1RARAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0334925-A1 FERROELECTRIC LIQUID CRYSTALLINE PHASES MERCK PATENT GmbH (DE) 1989-10-04 EP disclosed