SCHEMBL8420341

SCHEMBL8420341

O=C(O)COc1cccc2c(OCC(=O)NC(c3ccccc3)c3ccccc3)cccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
KDM4E B2RXH2 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
TSHR P16473 1/20 0.56
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 3/20 0.50
LMNA P02545 4/20 0.49
MAPT P10636 4/20 0.49
HTT P42858 2/20 0.49
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
OGG1 O15527 1/20 0.49
PARP1 P09874 1/20 0.48
RAB9A P51151 1/20 0.47
MDM4 O15151 1/20 0.47
MDM2 Q00987 1/20 0.47
CASP3 P42574 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL8420212 0.89 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ETDP1TSHR
SCHEMBL693383 0.86 TDP1 (0.49) ALDH1A1HPGDKDM4ETDP1TSHR
SCHEMBL8207302 0.85 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ETDP1TSHR
SCHEMBL8416828 0.80 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ETDP1TSHR
SCHEMBL8206250 0.80 MAPT (0.47) ALDH1A1HPGDKDM4ETDP1TSHR
SCHEMBL8418751 0.80 ALDH1A1 (0.53) ALDH1A1HPGDKDM4ETDP1TSHR
SCHEMBL8202557 0.79 SLC6A9 (0.48) ALDH1A1HPGDKDM4ETDP1MEN1
SCHEMBL8202190 0.79 MAPK1 (0.43) ALDH1A1HPGDKDM4ETDP1TSHR
SCHEMBL8418428 0.78 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ETDP1TSHR
SCHEMBL7294511 0.78 PTGDR2 (0.61) ALDH1A1HPGDKDM4ETSHRMEN1

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