SCHEMBL8931239

SCHEMBL8931239

CCCCCCCCCCOc1ccc(OC)cc1C(Cl)Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.58
CYSLTR1 Q9Y271 2/20 0.58
SMPD1 P17405 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
NR5A1 Q13285 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA1A P35348 1/20 0.41
PLA2G4B P0C869 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6339600 0.80 TDP1 (0.43) CYSLTR2CYSLTR1L3MBTL1MEN1CYP3A4
SCHEMBL6217127 0.77 CYP2D6 (0.59) MEN1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL9698566 0.77 NR5A1 (0.57) CYSLTR2CYSLTR1SMPD1NR5A1PLA2G4B
SCHEMBL10490578 0.77 MEN1 (0.56) CYSLTR2CYSLTR1SMPD1MEN1CYP1A2
SCHEMBL9698477 0.77 NR5A1 (0.57) CYSLTR2CYSLTR1SMPD1NR5A1PLA2G4B
SCHEMBL7201077 0.77 MEN1 (0.40) CYSLTR2CYSLTR1L3MBTL1MEN1CYP1A2
SCHEMBL12301283 0.76 ESR1 (0.50) CYSLTR2CYSLTR1SMPD1L3MBTL1NR5A1
SCHEMBL5981364 0.76 CYSLTR2 (0.48) CYSLTR2CYSLTR1CYP1A2CYP3A4CYP2C9
SCHEMBL3696707 0.75 CYSLTR2 (0.47) CYSLTR2CYSLTR1SMPD1L3MBTL1CYP1A2
SCHEMBL5989964 0.75 CYSLTR2 (0.47) CYSLTR2CYSLTR1SMPD1L3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784659-A1 ELECTROLUMINESCENT DEVICE Koninklijke Philips Electronics N.V. (NL) 1997-07-23 EP disclosed
WO-1997006223-A1 ELECTROLUMINESCENT DEVICE PHILIPS ELECTRONICS N.V. (NL) 1997-02-20 WO disclosed