SCHEMBL8201827

SCHEMBL8201827

O=C(CCc1cccc2c(CC(O)O)cccc12)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC6A9 P48067 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
TSHR P16473 1/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8204140 0.90 ALDH1A1 (0.44) ALDH1A1MAPTTDP1SLC6A9SLC6A5
SCHEMBL8201286 0.85 MAPT (0.49) ALDH1A1MAPTTDP1SLC6A9SLC6A5
SCHEMBL8719747 0.85 TDP1 (0.49) ALDH1A1MAPTTDP1SLC6A9SLC6A5
SCHEMBL8716300 0.83 MAPT (0.45) ALDH1A1MAPTTDP1SLC6A9SLC6A5
SCHEMBL8201916 0.81 KMT2A (0.52) MAPTTDP1TSHRKMT2AMEN1
SCHEMBL8716266 0.80 MAPK1 (0.44) ALDH1A1MAPTTDP1SLC6A9SLC6A5
SCHEMBL693383 0.79 TDP1 (0.49) ALDH1A1MAPTTDP1SLC6A9SLC6A5
SCHEMBL8201828 0.78 MAPT (0.43) ALDH1A1MAPTTDP1SLC6A9SLC6A5
SCHEMBL8206250 0.77 MAPT (0.47) ALDH1A1MAPTTDP1SLC6A9SLC6A5
SCHEMBL8204141 0.77 HTR1B (0.43) ALDH1A1MAPTTDP1SLC6A9SLC6A5

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 7 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
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
US-5753700-A ANALGESICS; CARDIOVASCULAR DISORDERS; ANTIULCER AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US 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