SCHEMBL8207302

SCHEMBL8207302

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 1/20 0.46
TACR3 P29371 1/20 0.43
TBXA2R P21731 5/20 0.43
PTGIR P43119 5/20 0.43
PARP1 P09874 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
HPGDS O60760 1/20 0.40

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
SCHEMBL8420341 0.85 ALDH1A1 (0.57) ALDH1A1HPGDKDM4ETDP1TSHR
SCHEMBL8420212 0.80 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ETDP1TSHR
SCHEMBL13497110 0.79 CNR2 (0.44) TSHRTACR3KMT2AMEN1TAAR1
SCHEMBL693383 0.78 TDP1 (0.49) ALDH1A1HPGDKDM4ETDP1TSHR
SCHEMBL6563571 0.77 KDM4E (0.65) ALDH1A1HPGDKDM4ETDP1PARP1
SCHEMBL8416828 0.77 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ETDP1TSHR
Naphthyloxyacetic Acid SCHEMBL6820182 0.73 KDM4E (0.96) ALDH1A1HPGDKDM4ETDP1TSHR
SCHEMBL22340596 0.72 ALDH1A1 (0.75) ALDH1A1HPGDSMN1; SMN2GLAL3MBTL1
SCHEMBL8202557 0.72 SLC6A9 (0.48) ALDH1A1HPGDKDM4ETDP1POLB
SCHEMBL901768 0.72 TDP1 (0.47) ALDH1A1HPGDKDM4ETDP1TBXA2R

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 5 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
US-6013673-A ADMINISTERING AN EFFECTIVE AMOUNT OF A NAPHTHYLOXYACETIC ACID DERIVATIVE OR NONTOXIC ACID ADDITION SALT OR HYDRATE TO TREAT OR PREVENT ABORTION, PAINE, DIARRHEA, CATHARTICS, ULCER, GASTRITIS, HYPERTENSION AND THROMBOSIS ONO PHARMACEUTICAL CO., LTD. (JP) 2000-01-11 US disclosed
EP-0719760-B1 Naphthalene derivatives and their use as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO (JP) 1999-09-22 EP disclosed
EP-0719760-A1 Naphthyloxyacetic acid derivatives and their use as PGW2 agonists and antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed