SCHEMBL8202046

SCHEMBL8202046

N#CCOc1cccc2c(CCC(=O)NC(c3ccccc3)c3ccccc3)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.40
FFAR1 O14842 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.37
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
ABCB1 P08183 2/20 0.37
FFAR4 Q5NUL3 1/20 0.36
TP53 P04637 1/20 0.36
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL8202238 0.92 SLC6A9 (0.44) MAPTTDP1KMT2AMEN1ALDH1A1
SCHEMBL693383 0.85 TDP1 (0.49) MAPTTDP1TSHRKMT2AMEN1
SCHEMBL8201828 0.84 MAPT (0.43) MAPTTDP1TSHRKMT2AMEN1
SCHEMBL8206250 0.83 MAPT (0.47) MAPTTDP1TSHRKMT2AMEN1
SCHEMBL8204141 0.83 HTR1B (0.43) MAPTTDP1TSHRKMT2AMEN1
SCHEMBL8201916 0.83 KMT2A (0.52) MAPTTDP1TSHRKMT2AMEN1
SCHEMBL8202181 0.83 TSHR (0.48) MAPTTDP1TSHRKMT2AMEN1
SCHEMBL8206771 0.80 MAPT (0.42) MAPTTDP1TSHRSLC6A9SLC6A5
SCHEMBL8202035 0.80 MAPT (0.41) MAPTTDP1TSHRKMT2AMEN1
SCHEMBL8202557 0.79 SLC6A9 (0.48) MAPTTDP1KMT2AMEN1ALDH1A1

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