SCHEMBL4468346

SCHEMBL4468346

CC(C)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(C(=O)Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.57
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
FOLH1 Q04609 1/20 0.41
MCL1 Q07820 1/20 0.41
PTPN1 P18031 1/20 0.41
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL19532369 0.83 GLRA1 (0.49) GLRA1LMNAHPGDMAPTSMN1; SMN2
SCHEMBL6476026 0.76 SGMS2 (0.52) GLRA1LMNAHPGDPTGER1MAPT
SCHEMBL382283 0.76 GLRA1 (0.60) GLRA1MRGPRX4PTGER1FOLH1MCL1
SCHEMBL382849 0.76 FOLH1 (0.62) GLRA1KDM4EMRGPRX4PTGER1FOLH1
SCHEMBL6391576 0.76 MCL1 (0.56) GLRA1KDM4EMRGPRX4PTGER1FOLH1
SCHEMBL6915900 0.75 GLRA1 (0.59) GLRA1LMNAHPGDMRGPRX4MAPT
SCHEMBL19894409 0.75 GLRA1 (0.49) GLRA1KDM4ELMNAHPGDPTPN1
SCHEMBL514495 0.75 GLRA1 (0.65) GLRA1KDM4ELMNAHPGDTHRA
SCHEMBL13932500 0.75 GLRA1 (0.65) GLRA1KDM4ELMNAHPGDTHRA
SCHEMBL16860708 0.75 GLRA1 (0.51) GLRA1KDM4EHPGDPTGER1FOLH1

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-2073804-A2 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THERAPY Astex Therapeutics Limited (GB) 2009-07-01 EP disclosed
WO-2008044054-A2 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed