SCHEMBL10359016

SCHEMBL10359016

CCCCCC(C)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
EPHX1 P07099 1/20 0.38
MAPT P10636 1/20 0.36
FAAH O00519 5/20 0.36
CES1 P23141 4/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.35
OPRM1 P35372 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
GPR84 Q9NQS5 2/20 0.33

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
SCHEMBL3641633 0.98 EPHX1 (0.41) TP53EPHX1MAPTFAAHCES1
SCHEMBL14779142 0.92
SCHEMBL14778715 0.90
SCHEMBL14779657 0.90
SCHEMBL14779256 0.88
SCHEMBL29035515 0.87 TP53 (0.39) TP53EPHX1MAPTFAAHCES1
SCHEMBL6967239 0.86 CA12 (0.31)
SCHEMBL19903211 0.86 CA12 (0.31)
SCHEMBL29308549 0.86 CA12 (0.31)
SCHEMBL21834458 0.84 TP53 (0.37) TP53EPHX1MAPTFAAHCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0190322-B1 PROCESS FOR THE PRODUCTION OF AMINO COMPOUNDS FROM HYDROXYL COMPOUNDS DIAMALT AKTIENGESELLSCHAFT (DE) 1990-10-24 EP disclosed
EP-0190322-A1 PROCESS FOR THE PRODUCTION OF AMINO COMPOUNDS FROM HYDROXYL COMPOUNDS. DIAMALT AG (DE) 1986-08-13 EP disclosed
WO-1986001502-A1 PROCESS FOR THE PRODUCTION OF AMINO COMPOUNDS FROM HYDROXYL COMPOUNDS DIAMALT AKTIENGESELLSCHAFT (DE) 1986-03-13 WO disclosed