SCHEMBL8437571

SCHEMBL8437571

CCCCCCCCCCCCOCCOCCOCCOCCNC(=O)CCN(C)C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.60
CASP2 P42575 1/20 0.47
NAAA Q02083 1/20 0.45
THRB P10828 6/20 0.44
EPHX2 P34913 1/20 0.44
FAAH O00519 3/20 0.44
THRA P10827 4/20 0.44
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
ENPP2 Q13822 1/20 0.42
LPAR1 Q92633 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
TLR2 O60603 1/20 0.42

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
SCHEMBL18588287 0.86 CASP2 (0.55) DNM1CASP2NAAATHRBEPHX2
SCHEMBL25836833 0.86 CASP2 (0.65) DNM1CASP2NAAATHRBEPHX2
SCHEMBL24759152 0.83 FAAH (0.59) DNM1CASP2NAAAEPHX2FAAH
SCHEMBL7650140 0.82 FAAH (0.62) DNM1CASP2NAAAEPHX2FAAH
SCHEMBL7647954 0.82 FAAH (0.62) DNM1CASP2NAAAEPHX2FAAH
SCHEMBL13811075 0.82 FAAH (0.62) DNM1CASP2NAAAEPHX2FAAH
SCHEMBL7646590 0.82 FAAH (0.62) DNM1CASP2NAAAEPHX2FAAH
SCHEMBL5164631 0.82 DNM1 (0.77) DNM1CASP2NAAATHRBEPHX2
SCHEMBL18402532 0.82 DNM1 (0.77) DNM1CASP2NAAATHRBEPHX2
SCHEMBL9664334 0.82 DNM1 (0.77) DNM1CASP2NAAATHRBEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757560-B1 OPHTHALMIC COMPOSITIONS COMPRISING AMIDOAMINES ALCON LAB INC (US) 1999-12-22 EP disclosed
US-5573726-A DISINFECTING CONTACT LENSES ALCON LABORATORIES, INC. (US) 1996-11-12 US disclosed