SCHEMBL8206771

SCHEMBL8206771

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 1/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
ESR1 P03372 1/20 0.39
YWHAB P31946 1/20 0.39
PDK1 Q15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
OGG1 O15527 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
SCHEMBL693383 0.87 TDP1 (0.49) MAPTTDP1TSHRSLC6A9SLC6A5
SCHEMBL8201828 0.86 MAPT (0.43) MAPTTDP1TSHRSLC6A9SLC6A5
SCHEMBL8206250 0.85 MAPT (0.47) MAPTTDP1RAB9ATSHRLMNA
SCHEMBL8202181 0.84 TSHR (0.48) MAPTTDP1TSHRLMNAHTT
SCHEMBL8202557 0.82 SLC6A9 (0.48) MAPTTDP1LMNAMAPK1HTT
SCHEMBL8204141 0.81 HTR1B (0.43) MAPTTDP1TSHRCYP3A4CYP2D6
SCHEMBL8201916 0.80 KMT2A (0.52) MAPTTDP1RAB9ATSHRLMNA
SCHEMBL8202046 0.80 MAPT (0.42) MAPTTDP1RAB9ATSHRCYP3A4
SCHEMBL8206298 0.80 ADRB3 (0.46) MAPTTDP1TSHRLMNANPSR1
SCHEMBL8202190 0.79 MAPK1 (0.43) MAPTTDP1TSHRMAPK1CYP3A4

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 6 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
EP-0719760-A1 Naphthyloxyacetic acid derivatives and their use as PGW2 agonists and antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed