SCHEMBL5208917

SCHEMBL5208917

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
PLA2G2C Q5R387 2/20 0.38
CA2 P00918 6/20 0.38
CA1 P00915 4/20 0.38
CTSK P43235 2/20 0.37
MAPK1 P28482 1/20 0.37
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FDPS P14324 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL5208140 0.87 TAS1R3 (0.40) TAS1R3TAS1R1PLA2G2CCA2CA1
SCHEMBL5209301 0.87 TAS1R3 (0.48) TAS1R3TAS1R1CA2CA1SMN1; SMN2
SCHEMBL5206239 0.81 TAS1R3 (0.41) TAS1R3TAS1R1PLA2G2CCA2CA1
SCHEMBL9819625 0.80 ZDHHC20 (0.46) TAS1R3TAS1R1PLA2G2CCA2CA1
SCHEMBL5208342 0.79 TAS1R3 (0.42) TAS1R3TAS1R1CA2CA1CTSK
SCHEMBL7211081 0.75 ZDHHC20 (0.49) TAS1R3TAS1R1PLA2G2CCA1MAPK1
SCHEMBL13715798 0.75 PLA2G2C (0.59) PLA2G2CCA2CA1MAPK1
SCHEMBL1388452 0.75 CA2 (0.48) TAS1R3TAS1R1PLA2G2CCA2CA1
SCHEMBL1388451 0.75 CA2 (0.44) PLA2G2CCA2CA1CTSKMAPK1
SCHEMBL6514878 0.74 ZDHHC20 (0.51) PLA2G2CMAPK1TSHR

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 4 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-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed