SCHEMBL8201451

SCHEMBL8201451

O=C(CCc1cccc2c(O)cccc12)NC(c1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.48
SLC6A5 Q9Y345 4/20 0.48
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8201286 0.91 MAPT (0.49) SLC6A9SLC6A5MAPTTDP1KMT2A
SCHEMBL8201996 0.85 SLC6A9 (0.48) SLC6A9SLC6A5MAPTTDP1KMT2A
SCHEMBL8202557 0.83 SLC6A9 (0.48) SLC6A9SLC6A5MAPTTDP1KMT2A
SCHEMBL8202238 0.81 SLC6A9 (0.44) SLC6A9SLC6A5MAPTTDP1KMT2A
SCHEMBL8206298 0.81 ADRB3 (0.46) SLC6A9SLC6A5MAPTTDP1KMT2A
SCHEMBL8719747 0.78 TDP1 (0.49) SLC6A9SLC6A5MAPTTDP1KMT2A
SCHEMBL8201827 0.77 ALDH1A1 (0.46) SLC6A9SLC6A5MAPTTDP1KMT2A
SCHEMBL8716300 0.76 MAPT (0.45) SLC6A9SLC6A5MAPTTDP1KMT2A
SCHEMBL8204140 0.75 ALDH1A1 (0.44) SLC6A9SLC6A5MAPTTDP1KMT2A
SCHEMBL8201916 0.74 KMT2A (0.52) MAPTTDP1KMT2AMEN1CTSG

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
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-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