SCHEMBL5204830

SCHEMBL5204830

[CH2]CCC(=O)NCCCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.41
TSHR P16473 1/20 0.40
NAAA Q02083 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FAAH O00519 3/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 4/20 0.36
DNM1 Q05193 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 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
SCHEMBL5212082 0.91 TSHR (0.43) CASP2TSHRNAAAMEN1KMT2A
SCHEMBL13374398 0.86 TSHR (0.48) CASP2TSHRNAAAMEN1KMT2A
SCHEMBL13374399 0.86 CASP2 (0.45) CASP2TSHRNAAAMEN1KMT2A
SCHEMBL5204935 0.84 MEN1 (0.41) CASP2TSHRNAAAMEN1KMT2A
SCHEMBL21081551 0.84 FAAH (0.47) CASP2TSHRNAAAMEN1KMT2A
SCHEMBL13375746 0.82 CASP2 (0.62) CASP2TSHRNAAAMEN1KMT2A
SCHEMBL7753177 0.81 CASP2 (0.41) CASP2TSHRNAAAMEN1KMT2A
SCHEMBL13164170 0.81 HDAC3 (0.43) CASP2TSHRNAAAMEN1KMT2A
SCHEMBL12133853 0.81 NAAA (0.47) CASP2TSHRNAAAMEN1KMT2A
SCHEMBL13375743 0.81 CASP2 (0.55) CASP2TSHRNAAAFAAHALDH1A1

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