SCHEMBL3811276

SCHEMBL3811276

COC(=O)c1ccccc1OCc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
HPGD P15428 2/20 0.60
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ENPP2 Q13822 1/20 0.59
SGMS2 Q8NHU3 1/20 0.58
MAOB P27338 3/20 0.55
HTR1A P08908 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1B P35368 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.53
NR1I2 O75469 1/20 0.52
NR3C1 P04150 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CNR1 P21554 1/20 0.52
TBXA2R P21731 1/20 0.52
SLC6A2 P23975 1/20 0.52

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
SCHEMBL1097731 0.90 KDM4E (0.55) KDM4EHPGDNPC1ALDH1A1RAB9A
SCHEMBL3813996 0.89 MRGPRX4 (0.59) KDM4EHPGDNPC1ALDH1A1RAB9A
SCHEMBL8980720 0.85 ENPP2 (0.54) KDM4EHPGDNPC1ALDH1A1RAB9A
SCHEMBL1388211 0.85 PTGER1 (0.60) HPGDNPC1RAB9ASMN1; SMN2ENPP2
SCHEMBL8980717 0.84 ENPP2 (0.56) HPGDNPC1RAB9ASMN1; SMN2ENPP2
SCHEMBL978857 0.84 HTT (0.64) NPC1ALDH1A1SMN1; SMN2SGMS2MAPT
SCHEMBL2453770 0.84 SGMS2 (0.58) KDM4EHPGDNPC1ALDH1A1RAB9A
SCHEMBL6564745 0.84 ALDH1A1 (0.54) KDM4EHPGDNPC1ALDH1A1RAB9A
SCHEMBL27702468 0.83 PARP1 (0.65) ALDH1A1ENPP2SGMS2HTR1AADRA1A
SCHEMBL454367 0.83 NPC1 (0.61) KDM4EHPGDNPC1ALDH1A1RAB9A

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
WO-2009147165-A1 NOVEL EP4 RECEPTOR AGONIST COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed
WO-2009147165-A1 NOVEL EP4 RECEPTOR AGONIST COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed