SCHEMBL30490643

SCHEMBL30490643

CCCCC(=O)N(C(C)C)C(C)C.CCCCC(=O)N(C(C)C)C(C)C.[Mn+2]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
CES1 P23141 5/20 0.44
CES2 O00748 4/20 0.44
TP53 P04637 2/20 0.41
LMNA P02545 3/20 0.39
CA1 P00915 1/20 0.39
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.36
FAAH O00519 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA4 P43681 1/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL12989173 0.98 ALDH1A1 (0.56) ALDH1A1CES1CES2TP53LMNA
SCHEMBL30884153 0.95 ALDH1A1 (0.54) ALDH1A1CES1CES2TP53LMNA
SCHEMBL31485013 0.91 ALDH1A1 (0.48) ALDH1A1CES1CES2LMNAEPHX2
SCHEMBL29039174 0.89 CES2 (0.50) ALDH1A1CES1CES2LMNAMEN1
SCHEMBL11398429 0.89 CES2 (0.50) ALDH1A1CES1CES2LMNAMEN1
SCHEMBL23646889 0.89 CES2 (0.50) ALDH1A1CES1CES2LMNAMEN1
SCHEMBL6557859 0.89 CES2 (0.50) ALDH1A1CES1CES2LMNAMEN1
SCHEMBL23646902 0.89 CES2 (0.50) ALDH1A1CES1CES2LMNAMEN1
SCHEMBL6557508 0.89 CES2 (0.50) ALDH1A1CES1CES2LMNAMEN1
SCHEMBL25834706 0.89 CES2 (0.50) ALDH1A1CES1CES2LMNAMEN1

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-116457948-A Semiconductor electronic device including sidewall barrier layer and method of manufacturing the same 康宁股份有限公司 2023-07-18 CN disclosed