SCHEMBL4728729

SCHEMBL4728729

CCn1c2ccccc2c2cc(C(=O)OC)ccc21

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.69
KDM4E B2RXH2 5/20 0.60
LMNA P02545 5/20 0.60
MAPT P10636 5/20 0.60
NPSR1 Q6W5P4 1/20 0.59
SCARB1 Q8WTV0 1/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
HCRTR1 O43613 2/20 0.58
RAB9A P51151 2/20 0.58
PAX8 Q06710 1/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
RORC P51449 2/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56
NPY5R Q15761 1/20 0.56

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
SCHEMBL15865717 0.87 PTGER4 (0.65) PTGER4KDM4ELMNAMAPTNPSR1
SCHEMBL27839200 0.86 KDM4E (0.58) PTGER4KDM4ELMNAMAPTNPSR1
SCHEMBL10579016 0.85 KDM4E (0.67) KDM4ELMNAMAPTNPSR1ALDH1A1
SCHEMBL27609720 0.84 KDM4E (0.55) PTGER4KDM4ELMNAMAPTNPSR1
SCHEMBL5662028 0.84 HPGD (0.72) KDM4ELMNAMAPTNPSR1ALDH1A1
SCHEMBL30150496 0.84 KDM4E (0.68) PTGER4KDM4ELMNAMAPTNPSR1
SCHEMBL7979578 0.84 KDM4E (0.68) PTGER4KDM4ELMNAMAPTNPSR1
SCHEMBL2734561 0.84 ALDH1A1 (0.78) PTGER4KDM4ELMNAMAPTNPSR1
SCHEMBL17938355 0.83 PTGER4 (1.00) PTGER4
SCHEMBL4727906 0.83 PTGER4 (0.67) PTGER4KDM4ELMNAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed