SCHEMBL10524746

SCHEMBL10524746

CCCCCc1ccc(-c2ccc(OC(=O)c3ccc(C4CCC(CCCCC)CC4)c(F)c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RARA P10276 2/20 0.41
RARG P13631 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 2/20 0.39
THRA P10827 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MDH1 P40925 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
SCHEMBL10527124 0.99 RARB (0.45) RARBMAPTSMN1; SMN2RARARARG
SCHEMBL10525381 0.99 RARB (0.45) RARBMAPTSMN1; SMN2RARARARG
SCHEMBL10527674 0.99 RARB (0.45) RARBMAPTSMN1; SMN2RARARARG
SCHEMBL10525451 0.99 RARB (0.45) RARBMAPTSMN1; SMN2RARARARG
SCHEMBL10526711 0.99 RARB (0.45) RARBMAPTSMN1; SMN2RARARARG
SCHEMBL10526443 0.99 RARB (0.45) RARBMAPTSMN1; SMN2RARARARG
SCHEMBL10526629 0.99 RARB (0.45) RARBMAPTSMN1; SMN2RARARARG
SCHEMBL10526494 0.99 RARB (0.45) RARBMAPTSMN1; SMN2RARARARG
SCHEMBL10524527 0.99 RARB (0.45) RARBMAPTSMN1; SMN2RARARARG
SCHEMBL10523844 0.90 NPC1 (0.45) RARBMAPTSMN1; SMN2RARAKMT2A

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
US-4871472-A Esters in ferroelectric mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-10-03 US disclosed
EP-0258340-A1 SMECTIC LIQUID CRYSTAL PHASES MERCK PATENT GmbH (DE) 1988-03-09 EP disclosed
WO-1987005013-A2 SMECTIC LIQUID CRYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-08-27 WO disclosed