SCHEMBL5208741

SCHEMBL5208741

CCC[CH]C(=O)OC(C)CC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.31

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
SCHEMBL2415902 0.84 TSHR (0.34) TSHRMAPT
SCHEMBL127506 0.83 HCAR2 (0.45) TSHRLMNA
SCHEMBL5209514 0.83 MAPT (0.33) TSHRMAPT
SCHEMBL27893879 0.80 TAS1R3 (0.41) MAPT
SCHEMBL2416243 0.79 TSHR (0.32) TSHRMAPTLMNA
SCHEMBL1062134 0.78 HCAR2 (0.48) TSHRMAPT
SCHEMBL510760 0.78 HCAR2 (0.48) TSHRMAPT
SCHEMBL510759 0.78 HCAR2 (0.48) TSHRMAPT
SCHEMBL8897521 0.78 TSHR (0.31) TSHR
SCHEMBL8894129 0.76 LMNA (0.41) TSHRLMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958292-B1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AG (DE) 2007-01-03 EP disclosed
EP-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-6165944-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed