SCHEMBL5208649

SCHEMBL5208649

CCCC[CH]C(=O)NC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
ALDH1A1 P00352 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
EGFR P00533 1/20 0.34
EPHX1 P07099 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HDAC2 Q92769 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CTSK P43235 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL5949982 0.78 EGFR (0.38) TSHRALDH1A1EGFREPHX1HDAC2
SCHEMBL5203612 0.76
SCHEMBL497464 0.74 FAAH (0.43) TSHRCNR1CNR2F7F3
SCHEMBL497830 0.72 ZDHHC20 (0.47) TSHRCNR1ALDH1A1EGFREPHX1
SCHEMBL8008109 0.71 TSHR (0.40) TSHRALDH1A1F7F3CYP1A2
SCHEMBL11601173 0.71 EGFR (0.37) TSHRALDH1A1EGFREPHX1HDAC2
SCHEMBL11600492 0.71 EGFR (0.37) TSHRALDH1A1EGFREPHX1HDAC2
SCHEMBL5206485 0.71 MEN1 (0.47) TSHRCNR1CNR2ALDH1A1EPHX1
SCHEMBL9428496 0.71 MAPT (0.51) TSHRCNR1F7F3EPHX1
SCHEMBL17556044 0.71 CNR1 (0.64) TSHRCNR1CNR2ALDH1A1

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 7 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
US-6165944-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed