SCHEMBL8202190

SCHEMBL8202190

O=C(O)COc1cccc2c(CCC(=O)NC(c3ccccc3)c3cccnc3)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
TBXAS1 P24557 2/20 0.39
PTGIR P43119 4/20 0.38
TBXA2R P21731 3/20 0.38
TSHR P16473 1/20 0.38
NOTUM Q6P988 1/20 0.37
KCNA5 P22460 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL693383 0.91 TDP1 (0.49) KDM4ETDP1ALDH1A1HPGDMAPT
SCHEMBL8202557 0.83 SLC6A9 (0.48) MAPK1KDM4ETDP1ALDH1A1HPGD
SCHEMBL8206250 0.83 MAPT (0.47) MAPK1KDM4ETDP1ALDH1A1HPGD
SCHEMBL8202181 0.82 TSHR (0.48) KDM4ETDP1MAPTPOLBMEN1
SCHEMBL8417285 0.81 KMT2A (0.53) MAPK1KDM4ETDP1ALDH1A1HPGD
SCHEMBL8418748 0.81 KMT2A (0.53) MAPK1KDM4ETDP1ALDH1A1HPGD
SCHEMBL8420212 0.80 ALDH1A1 (0.51) KDM4ETDP1ALDH1A1HPGDMAPT
SCHEMBL8201828 0.79 MAPT (0.43) KDM4ETDP1ALDH1A1HPGDMAPT
SCHEMBL8206771 0.79 MAPT (0.42) MAPK1TDP1MAPTTSHRCYP3A4
SCHEMBL8420341 0.79 ALDH1A1 (0.57) MAPK1KDM4ETDP1ALDH1A1HPGD

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 claimed
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