SCHEMBL8416779

SCHEMBL8416779

O=C(O)COc1cccc2cc(CC(=O)NCc3ccccc3)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 3/20 0.59
HPGD P15428 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPK1 P28482 1/20 0.53
ADAMTS5 Q9UNA0 1/20 0.53
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HSD17B2 P37059 1/20 0.48
OGG1 O15527 1/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DAPK1 P53355 1/20 0.46
PIM3 Q86V86 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL8418751 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDTDP1ADAMTS5
SCHEMBL8358555 0.79 KMT2A (0.64) ALDH1A1HPGDRAB9ASMN1; SMN2CA1
SCHEMBL22495484 0.77 ALDH1A1 (0.64) ALDH1A1KDM4ERAB9ASMN1; SMN2CA1
Naphthyloxyacetic Acid SCHEMBL120838 0.76 KDM4E (1.00) ALDH1A1KDM4EHPGDTDP1SMN1; SMN2
Naphthyloxyacetic Acid SCHEMBL29364154 0.76 KDM4E (1.00) ALDH1A1KDM4EHPGDTDP1SMN1; SMN2
SCHEMBL10736563 0.76 MAPK1 (0.63) ALDH1A1KDM4EHPGDTDP1MAPK1
Naphthyloxyacetic Acid SCHEMBL15201763 0.75 KDM4E (0.96) ALDH1A1KDM4EHPGDTDP1SMN1; SMN2
Naphthyloxyacetic Acid SCHEMBL6820182 0.75 KDM4E (0.96) ALDH1A1KDM4EHPGDTDP1SMN1; SMN2
Naphthyloxyacetic Acid SCHEMBL8441282 0.75 KDM4E (0.96) ALDH1A1KDM4EHPGDTDP1SMN1; SMN2
SCHEMBL8420406 0.74 KDM4E (0.51) ALDH1A1KDM4EHPGDTDP1MAPK1

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-0719760-B1 Naphthalene derivatives and their use as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO (JP) 1999-09-22 EP claimed
EP-0719760-A1 Naphthyloxyacetic acid derivatives and their use as PGW2 agonists and antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP claimed