SCHEMBL27967115

SCHEMBL27967115

C=C(CCCCCC)N(C(C)C)C(C)C.[LiH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FAAH O00519 1/20 0.38
MAPK1 P28482 1/20 0.38
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 6/20 0.37
PPARD Q03181 6/20 0.37
PPARA Q07869 6/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
PTPN1 P18031 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 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
SCHEMBL22473757 0.79 LMNA (0.38) LMNAMEN1KMT2AFAAHMAPK1
SCHEMBL21786999 0.77 CES2 (0.36) LMNAMEN1KMT2AFAAHMAPK1
SCHEMBL27415805 0.73 LMNA (0.38) LMNAMEN1KMT2AFAAHMAPK1
SCHEMBL18874463 0.73 CES2 (0.44) MEN1KMT2AFAAHCES2CES1
SCHEMBL20925013 0.73 CES2 (0.44) MEN1KMT2AFAAHCES2CES1
SCHEMBL18885205 0.73 CES2 (0.44) MEN1KMT2AFAAHCES2CES1
SCHEMBL23646902 0.72 CES2 (0.50) LMNAMEN1KMT2AFAAHMAPK1
SCHEMBL6557508 0.72 CES2 (0.50) LMNAMEN1KMT2AFAAHMAPK1
SCHEMBL6557859 0.72 CES2 (0.50) LMNAMEN1KMT2AFAAHMAPK1
SCHEMBL23646889 0.72 CES2 (0.50) LMNAMEN1KMT2AFAAHMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102137841-B Ortho-substituted haloalkylsulfonanilide derivative and herbicide NISSAN CHEMICAL IND LTD 2014-05-14 CN disclosed