SCHEMBL8166807

SCHEMBL8166807

CCCCCc1ccc(OCC(=O)O)c(CCCCC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
PPARA Q07869 4/20 0.59
PPARG P37231 2/20 0.59
HTT P42858 3/20 0.56
MAPT P10636 3/20 0.56
MAPK1 P28482 2/20 0.56
APAF1 O14727 2/20 0.56
THRB P10828 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
RAD52 P43351 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 3/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.48
CYSLTR2 Q9NS75 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL5696303 0.99 TSHR (0.64) TSHRPPARAPPARGHTTMAPT
SCHEMBL11847623 0.91 PPARA (0.59) TSHRPPARAPPARGHTTMAPT
SCHEMBL586998 0.89 HTT (0.53) TSHRPPARAPPARGHTTMAPT
SCHEMBL586997 0.87 HTT (0.52) TSHRPPARAPPARGHTTMAPT
SCHEMBL10396115 0.87 HTT (0.52) TSHRPPARAPPARGHTTMAPT
SCHEMBL7813434 0.86 HTT (0.60) TSHRPPARAPPARGHTTMAPT
SCHEMBL28381703 0.85 HTT (0.59) TSHRPPARAPPARGHTTMAPT
SCHEMBL11576732 0.84 TSHR (0.64) TSHRPPARAPPARGMAPTTHRB
SCHEMBL2542877 0.83 LTB4R (0.62) PPARAPPARGHTTMAPTMAPK1
SCHEMBL11403641 0.83 MAPT (0.63) TSHRPPARAPPARGMAPTL3MBTL1

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-0769487-B1 Process for preparing carboxyl groups containing alkyl aryl ethers BAYER AG (DE) 2000-01-26 EP disclosed
US-5869735-A Process for the preparation of alkyl aryl ethers containing carboxyl groups BAYER AKTIENGESELLSCHAFT (DE) 1999-02-09 US disclosed
EP-0769487-A2 Process for preparing carboxyl groups containing alkyl aryl ethers BAYER AG (DE) 1997-04-23 EP disclosed