SCHEMBL7597637

SCHEMBL7597637

CCCC[C](C)NC(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
FAAH O00519 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
EPHX1 P07099 1/20 0.41
CES1 P23141 2/20 0.37
CES2 O00748 2/20 0.36
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
CA1 P00915 1/20 0.32
MAPT P10636 1/20 0.32
PSMB5 P28074 1/20 0.32
PLA2G2A P14555 1/20 0.32
PLA2G5 P39877 1/20 0.32

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
SCHEMBL2964397 0.81 CA12 (0.40) MEN1FAAHMAPK1KMT2AEPHX1
SCHEMBL6610344 0.73 FAAH (0.83) MEN1FAAHMAPK1KMT2AEPHX1
SCHEMBL19069169 0.73 MEN1 (0.47) MEN1FAAHMAPK1KMT2AEPHX1
SCHEMBL5206143 0.73 MEN1 (0.52) MEN1FAAHMAPK1KMT2AEPHX1
SCHEMBL19459004 0.73
SCHEMBL2965737 0.71 EPHX1 (0.46) MEN1FAAHMAPK1KMT2AEPHX1
SCHEMBL18756514 0.71 FAAH (0.45) MEN1FAAHMAPK1KMT2AEPHX1
SCHEMBL7228638 0.70
SCHEMBL2973567 0.70
SCHEMBL29486023 0.69 FAAH (0.47) MEN1FAAHMAPK1KMT2AEPHX1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915853-B1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AG (DE) 2002-11-06 EP disclosed
US-6383986-B1 USE AS HERBICIDES, DESICCANTS OR DEFOLIANTS AND PLANT SAFENING AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-07 US disclosed
US-6197973-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
EP-0915853-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-05-19 EP disclosed
WO-1998038169-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-09-03 WO disclosed
WO-1998005649-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-02-12 WO disclosed