SCHEMBL5676880

SCHEMBL5676880

Cc1ccc2cc(CC(=O)O)c(=O)[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 8/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 3/20 0.40
MPL P40238 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA2A P29274 2/20 0.38
CYP1A2 P05177 2/20 0.37
ADORA1 P30542 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL5676978 0.82 HRH4 (0.39) KDM4EKMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL27840816 0.77 KDM4E (0.49) KDM4EKMT2AHSD17B10ALDH1A1HPGD
SCHEMBL5677159 0.77 DAO (0.59) KDM4EKMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL5677293 0.72 EGLN1 (0.40) KDM4EKMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4067945 0.72 HSD17B10 (0.61) KDM4EKMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL589427 0.71 ALDH1A1 (0.56) KDM4EKMT2AALDH1A1HPGDNPC1
SCHEMBL19127026 0.71 KDM4E (0.46) KDM4EKMT2AADORA2AADORA1
SCHEMBL25232378 0.71 PIN1 (0.49) KDM4EKMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL30434363 0.69 MAPK1 (0.61) KDM4EKMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL5678790 0.69 MAPK1 (0.61) KDM4EKMT2AHSD17B10ALDH1A1SMN1; SMN2

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-0988045-B1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NIELSEN PETER EIGIL (DK) 2006-02-08 EP disclosed
US-6632919-B1 Bind Watson-Crick base pairs in a double helix; specific for thymidine Nielsen, Peter (DK) 2003-10-14 US disclosed