SCHEMBL5209514

SCHEMBL5209514

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31
TSHR P16473 2/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30

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
SCHEMBL5208741 0.83 TSHR (0.32) MAPTTSHR
SCHEMBL2416243 0.83 TSHR (0.32) MAPTTSHRCHRM2CHRM4CHRM1
SCHEMBL510759 0.81 HCAR2 (0.48) MAPTHCAR2TSHRCHRM2CHRM4
SCHEMBL510760 0.81 HCAR2 (0.48) MAPTHCAR2TSHRCHRM2CHRM4
SCHEMBL131152 0.81
SCHEMBL1062134 0.81 HCAR2 (0.48) MAPTHCAR2TSHRCHRM2CHRM4
SCHEMBL2415902 0.79 TSHR (0.34) MAPTTSHR
SCHEMBL11207248 0.79
SCHEMBL7053037 0.79
SCHEMBL1362099 0.79

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 15 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
EP-0361255-B1 LIQUID-CRYSTAL MIXTURES CONTAINING AZULENE SQUARE ACID DYE BASF Aktiengesellschaft (DE) 1992-11-19 EP disclosed
US-5084592-A Dyes for optical recording media BASF AKTIENGESELLSCHAFT (DE) 1992-01-28 US disclosed
US-5071588-A Solubility; dichromism; ensures optimal absorption of wiring laser BASF AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
EP-0361255-A1 Liquid-crystal mixtures containing azulene square acid dye BASF Aktiengesellschaft (DE) 1990-04-04 EP disclosed
EP-0310080-A2 Azulene-squarillic dyes, azulenes as their intermediary products, and optical recording medium BASF Aktiengesellschaft (DE) 1989-04-05 EP disclosed