SCHEMBL652102

SCHEMBL652102

CC=CCCCCCCC/C=C\CCCCC(N)CCC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
S1PR2 O95136 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR4 O95977 4/20 0.41
FAAH O00519 3/20 0.40
SOAT1 P35610 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TRPV1 Q8NER1 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
SCHEMBL6896937 0.88 S1PR2 (0.52) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL6361633 0.88 S1PR2 (0.52) ALDH1A1S1PR2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL9613983 0.86 S1PR2 (0.50) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL21190686 0.84 ALDH1A1 (0.36) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL23390575 0.84 S1PR2 (0.55) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL21199828 0.84 S1PR2 (0.55) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL21199406 0.84 S1PR2 (0.55) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL21752776 0.84 S1PR2 (0.55) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL21199407 0.84 S1PR2 (0.55) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL10795834 0.84 S1PR2 (0.55) ALDH1A1S1PR2S1PR1S1PR3S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389450-B2 Lubricant concentrate containing a phosphate triester DIVERSEY, INC. (US) 2013-03-05 US disclosed
US-8119580-B2 Lubricant concentrate containing a phosphate triester DIVERSEY, INC. (US) 2012-02-21 US disclosed
US-20120006652-A1 NEW LUBRICANT CONCENTRATE CONTAINING A PHOSPHATE TRIESTER DIVERSEY, INC. (US) 2012-01-12 US disclosed
US-20100130392-A1 LUBRICANT CONCENTRATE CONTAINING A PHOSPHATE TRIESTER JOHNSONDIVERSEY, INC. (US) 2010-05-27 US disclosed