SCHEMBL8417285

SCHEMBL8417285

C[C@@H](NC(=O)CCc1cccc2c(OCC(=O)O)cccc12)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
PARP1 P09874 3/20 0.51
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PARP3 Q9Y6F1 2/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL8418748 1.00 KMT2A (0.53) KMT2AMEN1POLBMAPTLMNA
SCHEMBL693383 0.89 TDP1 (0.49) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL8202557 0.81 SLC6A9 (0.48) KMT2AMEN1POLBMAPTLMNA
SCHEMBL8202181 0.81 TSHR (0.48) KMT2AMEN1POLBMAPTLMNA
SCHEMBL8202190 0.81 MAPK1 (0.43) KMT2AMEN1POLBMAPTMAPK1
SCHEMBL8206250 0.80 MAPT (0.47) KMT2AMEN1POLBMAPTLMNA
SCHEMBL8420406 0.79 KDM4E (0.51) KMT2AMEN1MAPTMAPK1HTT
SCHEMBL901768 0.78 TDP1 (0.47) POLBMAPTALDH1A1HPGDKDM4E
SCHEMBL8420212 0.77 ALDH1A1 (0.51) KMT2AMEN1MAPTLMNAHTT
SCHEMBL8201916 0.77 KMT2A (0.52) KMT2AMEN1MAPTLMNATP53

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