SCHEMBL8202181

SCHEMBL8202181

COC(=O)COc1cccc2c(CCC(=O)NC(c3ccccc3)c3ccccc3)cccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 4/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
JAK2 O60674 1/20 0.40
PPARD Q03181 1/20 0.39
MDM4 O15151 1/20 0.39
LMNA P02545 1/20 0.39
MDM2 Q00987 1/20 0.39
POLB P06746 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
SCHEMBL8206298 0.92 ADRB3 (0.46) TSHRMAPTTDP1KDM4ENPC1
SCHEMBL693383 0.90 TDP1 (0.49) TSHRMAPTTDP1KDM4EKMT2A
SCHEMBL8206250 0.88 MAPT (0.47) TSHRMAPTTDP1KDM4EHTT
SCHEMBL8201916 0.88 KMT2A (0.52) TSHRMAPTTDP1KMT2AMEN1
SCHEMBL8201828 0.84 MAPT (0.43) TSHRMAPTTDP1KDM4EKMT2A
SCHEMBL8206771 0.84 MAPT (0.42) TSHRMAPTTDP1HTTLMNA
SCHEMBL8204141 0.83 HTR1B (0.43) TSHRMAPTTDP1KDM4EKMT2A
SCHEMBL8202046 0.83 MAPT (0.42) TSHRMAPTTDP1KDM4EKMT2A
SCHEMBL8202557 0.83 SLC6A9 (0.48) MAPTTDP1KDM4EHTTKMT2A
SCHEMBL8202795 0.82 KDM4E (0.47) MAPTTDP1KDM4ENPC1HTT

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 3 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 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