SCHEMBL5677189

SCHEMBL5677189

O=C(O)C=Cc1ccc(=O)[nH]n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
KDM4E B2RXH2 4/20 0.59
CYP1A2 P05177 3/20 0.59
HPGD P15428 2/20 0.59
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS1 P23219 4/20 0.46
PTGS2 P35354 2/20 0.46
KMT2A Q03164 2/20 0.39
HCAR2 Q8TDS4 2/20 0.39
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL4304157 0.73 KDM4E (0.43) LMNAKDM4EHPGDSMN1; SMN2POLB
SCHEMBL9453125 0.73 KDM4E (0.43) LMNAKDM4EHPGDSMN1; SMN2POLB
SCHEMBL1757968 0.71
SCHEMBL10568277 0.70 HCAR2 (0.48) LMNAKDM4EHPGDNPC1SMN1; SMN2
SCHEMBL10568273 0.70 HCAR2 (0.48) LMNAKDM4EHPGDNPC1SMN1; SMN2
SCHEMBL10725655 0.69 LMNA (0.67) LMNAKDM4ECYP1A2HPGDNPC1
SCHEMBL11129796 0.69 LMNA (0.67) LMNAKDM4ECYP1A2HPGDNPC1
SCHEMBL11660064 0.65 P4HTM (0.68) LMNAKDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL11660063 0.65 P4HTM (0.68) LMNAKDM4EHPGDRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11330726 0.64 KMT2A (0.56) CYP1A2NPC1RAB9APOLBKMT2A

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-0988045-B1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NIELSEN PETER EIGIL (DK) 2006-02-08 EP disclosed