SCHEMBL9323737

SCHEMBL9323737

CCOC(OC)Oc1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.39
SLC6A4 P31645 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 3/20 0.34
MAPK1 P28482 3/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
PPARD Q03181 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NQO1 P15559 1/20 0.32

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
SCHEMBL4185405 0.81 APP (0.37) SLC6A4THRBNQO1
SCHEMBL4821484 0.78 THRB (0.36) THRB
SCHEMBL4991362 0.77 ALDH1A3 (0.53) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL15514155 0.77 CHRNB2 (0.41) THRBMAPTALDH1A1
SCHEMBL3961422 0.77 FFAR1 (0.36) SLC6A4MEN1KMT2ALMNAMAOB
SCHEMBL4066156 0.77 LMNA (0.42) LDHASLC6A4MEN1KMT2AGAA
SCHEMBL9343828 0.76 CA1 (0.48) SLC6A4THRBGAAMAPTMAPK1
SCHEMBL4996154 0.75 PKM (0.39) THRBKMT2AGAARAB9ANPC1
SCHEMBL9145439 0.75 THRB (0.38) SLC6A4THRBMEN1KMT2AMAPK1
SCHEMBL13845268 0.73 LMNA (0.38) LDHASLC6A4MEN1KMT2AGAA

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-0409234-B1 Alpha-hydroxyketone derivatives, liquid crystal compositions containing said derivatives, and liquid crystal devices using said compositions CHISSO CORP (JP) 1994-02-16 EP disclosed
US-5164112-A Optical activity, ferroelectric, short response times CHISSO CORPORATION (JP) 1992-11-17 US disclosed
EP-0409234-A2 Alpha-hydroxyketone derivatives, liquid crystal compositions containing said derivatives, and liquid crystal devices using said compositions Chisso Corporation (JP) 1991-01-23 EP disclosed