SCHEMBL5161833

SCHEMBL5161833

CCCCCCCCCCC(CCCCCCCC)COC(N)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
OPRM1 P35372 1/20 0.41
SPHK1 Q9NYA1 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 3/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CYP2D6 P10635 2/20 0.37
PLA2G1B P04054 1/20 0.37
PLA2G2A P14555 1/20 0.37
GMNN O75496 1/20 0.37
POLB P06746 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37
BLM P54132 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 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
SCHEMBL9438365 1.00 LMNA (0.43) LMNAOPRM1SPHK1ALDH1A1TDP1
SCHEMBL9438205 1.00 LMNA (0.43) LMNAOPRM1SPHK1ALDH1A1TDP1
SCHEMBL28943056 0.94 OPRM1 (0.40) LMNAOPRM1SPHK1ALDH1A1TDP1
SCHEMBL28943130 0.94 CYP3A4 (0.44) LMNAOPRM1SPHK1ALDH1A1TDP1
SCHEMBL179736 0.86 CYP3A4 (0.52) LMNAOPRM1ALDH1A1TDP1CYP3A4
SCHEMBL9766723 0.85 CYP3A4 (0.47) LMNAOPRM1SPHK1ALDH1A1TDP1
SCHEMBL9438252 0.82 OPRM1 (0.45) LMNAOPRM1SPHK1CYP3A4CYP2D6
SCHEMBL5186405 0.78 LMNA (0.45) LMNAOPRM1SPHK1ALDH1A1TDP1
SCHEMBL10483854 0.78 LMNA (0.50) LMNAOPRM1SPHK1CYP3A4PRSS1
SCHEMBL18327084 0.77 LMNA (0.48) LMNAOPRM1CYP3A4PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219597-B1 Process for production of ether amine KAO CORP (JP) 2007-02-14 EP disclosed
EP-1219597-A1 Process for production of ether amine Kao Corporation (JP) 2002-07-03 EP disclosed
US-5298038-A Cleaning coke from injection nozzle KAO CORPORATION (JP) 1994-03-29 US disclosed
EP-0353713-B1 Use of an additive for fuel KAO CORP (JP) 1994-03-16 EP disclosed
EP-0353713-A1 Use of an additive for fuel Kao Corporation (JP) 1990-02-07 EP disclosed