SCHEMBL18643448

SCHEMBL18643448

O=C(COCC(=O)C1CCC1)Nc1ccc(CCC(=O)N2CCC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.38
PAX8 Q06710 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCHR1 Q99705 2/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
CCR5 P51681 1/20 0.36
LMNA P02545 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL14297002 0.87 POLB (0.42) POLBMAPTALDH1A1HPGDGAA
SCHEMBL13625396 0.86 POLB (0.47) POLBMAPTALDH1A1HPGDGAA
SCHEMBL4400681 0.85 POLB (0.46) POLBMAPTALDH1A1HPGDMEN1
SCHEMBL13644620 0.85 POLB (0.40) POLBMAPTALDH1A1HPGDGAA
SCHEMBL13625469 0.84 POLB (0.45) POLBMAPTALDH1A1HPGDGAA
SCHEMBL13643864 0.84 POLB (0.47) POLBMAPTALDH1A1HPGDGAA
SCHEMBL16404365 0.84 POLB (0.45) POLBMAPTALDH1A1HPGDGAA
SCHEMBL14297023 0.83 ALDH1A1 (0.57) POLBMAPTALDH1A1HPGDMEN1
SCHEMBL14297017 0.82 POLB (0.48) POLBMAPTALDH1A1HPGDMEN1
SCHEMBL23274221 0.82 POLB (0.43) POLBMAPTALDH1A1HPGDGAA

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
EP-2793928-B1 PROCESS FOR PURIFYING A SAMPLE OF H38C2 ANTIBODY PFIZER (US) 2017-03-15 EP disclosed