SCHEMBL8207124

SCHEMBL8207124

COC(=O)COc1cccc2c(CCC(=O)OC(C)(C)C)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
JAK2 O60674 1/20 0.41
PPARD Q03181 1/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
TSHR P16473 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
NQO2 P16083 1/20 0.37

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
SCHEMBL8202795 0.85 KDM4E (0.47) KDM4ENPC1MAPTHTTJAK2
SCHEMBL5697619 0.81 DDB1 (0.49) KDM4ENPC1MAPTHTTJAK2
SCHEMBL8633156 0.78 KDM4E (0.47) KDM4ENPC1MAPTHTTJAK2
SCHEMBL8201865 0.78 IAPP (0.43) KDM4EMAPTNQO2
SCHEMBL34471197 0.77 CDYL (0.40) KDM4EMAPTALDH1A1HPGDTSHR
SCHEMBL7286194 0.76 CDYL (0.56) KDM4EL3MBTL1NQO2
SCHEMBL8202181 0.76 TSHR (0.48) KDM4ENPC1MAPTHTTJAK2
SCHEMBL2758527 0.75 DDB1 (0.45) KDM4EMAPTJAK2ALDH1A1HPGD
SCHEMBL28297495 0.74 DDB1 (0.46) KDM4ENPC1MAPTHTTJAK2
SCHEMBL6209967 0.73 CYP4F2 (0.53) KDM4EALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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