SCHEMBL8418751

SCHEMBL8418751

O=C(O)COc1cccc2cc(CC(=O)NC(c3ccccc3)c3ccccc3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
KMT2A Q03164 4/20 0.50
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
OGG1 O15527 1/20 0.43
MEN1 O00255 3/20 0.43
TSHR P16473 1/20 0.43
DAPK1 P53355 1/20 0.42
PIM3 Q86V86 1/20 0.42
SLC6A9 P48067 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
AKR1B1 P15121 1/20 0.41

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
SCHEMBL8418428 0.89 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ETDP1KMT2A
SCHEMBL8416779 0.82 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ETDP1KMT2A
SCHEMBL8354886 0.80 KMT2A (0.55) ALDH1A1HPGDKMT2AMEN1TSHR
SCHEMBL8420341 0.80 ALDH1A1 (0.57) ALDH1A1HPGDKDM4ETDP1KMT2A
SCHEMBL8420212 0.79 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ETDP1KMT2A
SCHEMBL693383 0.73 TDP1 (0.49) ALDH1A1HPGDKDM4ETDP1KMT2A
Naphthyloxyacetic Acid SCHEMBL120838 0.72 KDM4E (1.00) ALDH1A1HPGDKDM4ETDP1KMT2A
Naphthyloxyacetic Acid SCHEMBL29364154 0.72 KDM4E (1.00) ALDH1A1HPGDKDM4ETDP1KMT2A
SCHEMBL8207302 0.72 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ETDP1KMT2A
SCHEMBL27858373 0.71 KMT2A (0.58) ALDH1A1HPGDKDM4EKMT2AMEN1

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