SCHEMBL5204615

SCHEMBL5204615

[CH2]CCCC(=O)N(C)CCCC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
ALDH1A1 P00352 1/20 0.48
CNR1 P21554 1/20 0.45
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4C Q9H3R0 10/20 0.42
KDM5A P29375 10/20 0.42
PHF8 Q9UPP1 4/20 0.40
KDM4A O75164 2/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KDM5C P41229 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL7556509 0.92 EPHX2 (0.54) EPHX2ALDH1A1CNR1NPC1SMN1; SMN2
SCHEMBL7559173 0.92 EPHX2 (0.54) EPHX2ALDH1A1CNR1NPC1SMN1; SMN2
SCHEMBL7554568 0.92 EPHX2 (0.54) EPHX2ALDH1A1CNR1NPC1SMN1; SMN2
SCHEMBL7555063 0.92 EPHX2 (0.54) EPHX2ALDH1A1CNR1NPC1SMN1; SMN2
SCHEMBL7559535 0.92 EPHX2 (0.54) EPHX2ALDH1A1CNR1NPC1SMN1; SMN2
SCHEMBL5209063 0.90 EPHX2 (0.46) EPHX2ALDH1A1CNR1NPC1SMN1; SMN2
SCHEMBL5206157 0.90 ALDH1A1 (0.45) EPHX2ALDH1A1CNR1NPC1SMN1; SMN2
SCHEMBL20673423 0.87 ALDH1A1 (0.62) EPHX2ALDH1A1CNR1NPC1SMN1; SMN2
SCHEMBL8778605 0.87 EPHX2 (0.60) EPHX2ALDH1A1CNR1KDM4CKDM5A
SCHEMBL8778618 0.87 EPHX2 (0.60) EPHX2ALDH1A1CNR1KDM4CKDM5A

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