SCHEMBL8201996

SCHEMBL8201996

COc1cccc2c(CCC(=O)NC(c3ccccc3)c3cccc(Cl)c3)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.48
SLC6A5 Q9Y345 2/20 0.48
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
CTSG P08311 1/20 0.47
CMA1 P23946 1/20 0.47
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ATM Q13315 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
GALR3 O60755 1/20 0.40

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
SCHEMBL8201916 0.92 KMT2A (0.52) KMT2AMEN1CTSGCMA1TSHR
SCHEMBL8206298 0.89 ADRB3 (0.46) SLC6A9SLC6A5KMT2AMEN1CTSG
SCHEMBL8202557 0.88 SLC6A9 (0.48) SLC6A9SLC6A5KMT2AMEN1ALDH1A1
SCHEMBL8202238 0.85 SLC6A9 (0.44) SLC6A9SLC6A5KMT2AMEN1CTSG
SCHEMBL8201451 0.85 SLC6A9 (0.48) SLC6A9SLC6A5KMT2AMEN1CTSG
SCHEMBL8202181 0.80 TSHR (0.48) KMT2AMEN1CTSGCMA1TSHR
SCHEMBL8201828 0.80 MAPT (0.43) SLC6A9SLC6A5KMT2AMEN1CTSG
SCHEMBL693383 0.78 TDP1 (0.49) SLC6A9SLC6A5KMT2AMEN1ALDH1A1
SCHEMBL8204141 0.77 HTR1B (0.43) SLC6A9SLC6A5KMT2AMEN1CTSG
SCHEMBL8206250 0.77 MAPT (0.47) SLC6A9SLC6A5KMT2AMEN1ALDH1A1

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