SCHEMBL1944097

SCHEMBL1944097

CCCCCCCCCCCCCOC(C)C(O)CN

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.55
HTT P42858 1/20 0.50
SPHK1 Q9NYA1 3/20 0.42
USP2 O75604 1/20 0.39
TLR2 O60603 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
BLM P54132 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
SCHEMBL2545522 0.82 USP2 (0.48) DNM1HTTSPHK1USP2MAPT
SCHEMBL3873682 0.82 USP2 (0.48) DNM1HTTSPHK1USP2MAPT
SCHEMBL10833059 0.82 DNM1 (0.57) DNM1HTTSPHK1USP2TLR2
SCHEMBL25421947 0.82 USP2 (0.48) DNM1HTTSPHK1USP2MAPT
SCHEMBL28002018 0.82 SPHK1 (0.42) DNM1HTTSPHK1USP2ALDH1A1
SCHEMBL7157710 0.80 DNM1 (0.53) DNM1HTTSPHK1USP2TLR2
SCHEMBL9730012 0.79 DNM1 (0.47) DNM1HTTSPHK1USP2MAPT
SCHEMBL9731222 0.79 DNM1 (0.47) DNM1HTTSPHK1USP2MAPT
SCHEMBL9731506 0.79 DNM1 (0.47) DNM1HTTSPHK1USP2MAPT
SCHEMBL9730332 0.79 DNM1 (0.47) DNM1HTTSPHK1USP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349772-B2 Method of secondary oil recovery using an aminoalkylene phosphonic acid and an amine neutralizing agent DEQUEST AG (CH) 2013-01-08 US claimed
EP-2303983-B1 METHOD OF SECONDARY OIL RECOVERY DEQUEST AG (CH) 2012-09-19 EP claimed
US-20110130312-A1 METHOD OF SECONDARY OIL RECOVERY DEQUEST AG (CH) 2011-06-02 US claimed
US-8349772-B2 Method of secondary oil recovery using an aminoalkylene phosphonic acid and an amine neutralizing agent DEQUEST AG (CH) 2013-01-08 US disclosed
EP-2303983-B1 METHOD OF SECONDARY OIL RECOVERY DEQUEST AG (CH) 2012-09-19 EP disclosed
US-20110130312-A1 METHOD OF SECONDARY OIL RECOVERY DEQUEST AG (CH) 2011-06-02 US disclosed