SCHEMBL9012622

SCHEMBL9012622

CCCCCCCCCCCCCCCCCC[C](CCCCCCCCCCCCCCCCCC)C(C)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
MAPT P10636 1/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
FAAH O00519 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL10701934 1.00 CES2 (0.46) CES2CES1MAPTLMNAMEN1
SCHEMBL28180348 0.81 CES2 (0.48) CES2CES1LMNAMEN1FAAH
SCHEMBL10457257 0.81 CES2 (0.48) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL7168781 0.79 CES2 (0.46) CES2CES1MAPTLMNAMEN1
SCHEMBL5506970 0.79 CES2 (0.46) CES2CES1MAPTLMNAMEN1
SCHEMBL7169801 0.79 CES2 (0.46) CES2CES1MAPTLMNAMEN1
SCHEMBL7167550 0.79 CES2 (0.46) CES2CES1MAPTLMNAMEN1
SCHEMBL28179469 0.78 CES2 (0.46) CES2CES1LMNAMEN1FAAH
SCHEMBL10967910 0.77 CES2 (0.44) CES2CES1LMNAMEN1FAAH
SCHEMBL9713107 0.77 CES2 (0.44) CES2CES1LMNAMEN1FAAH

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
US-5563111-A Agricultural chemical composition comprising amine surfactants with at least one ester or amide linkage KAO CORPORATION (JP) 1996-10-08 US disclosed