SCHEMBL1944096

SCHEMBL1944096

CCCCCCCCCCCCCOCCCC(N)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
USP2 O75604 1/20 0.50
SPHK1 Q9NYA1 3/20 0.45
CES2 O00748 2/20 0.44
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 1/20 0.42
CYP2D6 P10635 2/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 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
SCHEMBL9562888 0.84 TRPV1 (0.39) HTTMAPTMEN1THRBKMT2A
SCHEMBL10613669 0.83 TSHR (0.50) HTTMAPTMEN1THRBKMT2A
SCHEMBL20725735 0.83 HTT (0.56) HTTMAPTMEN1THRBKMT2A
SCHEMBL9801241 0.82 SPHK1 (0.62) HTTMAPTSPHK1CYP1A2CYP3A4
SCHEMBL9801707 0.82 SPHK1 (0.62) HTTMAPTSPHK1CYP1A2CYP3A4
SCHEMBL8016796 0.82 SPHK1 (0.62) HTTMAPTSPHK1CYP1A2CYP3A4
SCHEMBL17202178 0.82 SPHK1 (0.62) HTTMAPTSPHK1CYP1A2CYP3A4
SCHEMBL17202063 0.82 SPHK1 (0.62) HTTMAPTSPHK1CYP1A2CYP3A4
SCHEMBL1482869 0.82 SPHK1 (0.62) HTTMAPTSPHK1CYP1A2CYP3A4
SCHEMBL1850024 0.82 SPHK1 (0.62) HTTMAPTSPHK1CYP1A2CYP3A4

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