SCHEMBL7652075

SCHEMBL7652075

CCCCOC(=O)COCCOCCOCC(=O)OCCCC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
NAAA Q02083 1/20 0.52
ATM Q13315 1/20 0.48
DGKA P23743 1/20 0.47
TSHR P16473 4/20 0.45
CES2 O00748 2/20 0.45
HPGD P15428 1/20 0.45
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
FAAH O00519 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR2C P28335 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41

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
SCHEMBL24379875 0.94 NAAA (0.47) ALDH1A1NAAAATMDGKATSHR
SCHEMBL18470078 0.94 DGKA (0.50) ALDH1A1NAAAATMDGKATSHR
SCHEMBL28100737 0.94 DGKA (0.50) ALDH1A1NAAAATMDGKATSHR
SCHEMBL18612049 0.94 ALDH1A1 (0.50) ALDH1A1NAAAATMDGKATSHR
SCHEMBL1055702 0.93 ALDH1A1 (0.54) ALDH1A1NAAAATMDGKATSHR
SCHEMBL8862596 0.92 NAAA (0.46) ALDH1A1NAAAATMDGKATSHR
SCHEMBL273115 0.92 TSHR (0.57) ALDH1A1NAAAATMDGKATSHR
SCHEMBL1401441 0.92 TSHR (0.57) ALDH1A1NAAAATMDGKATSHR
SCHEMBL7647979 0.92 NAAA (0.64) NAAADGKATSHRCES2RAD52
SCHEMBL8862798 0.92 NAAA (0.64) NAAADGKATSHRCES2RAD52

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-6350795-B1 ACOUSTIC PHASE-CHANGE CONDUCTIVE INK CONTAINING LOW MOLECULAR WEIGHT OXYALKYLENE SEGMENTS COMPLEXED WITH UREA DERIVATIVES XEROX CORPORATION 2002-02-26 US claimed
US-6096125-A Ink compositions XEROX CORPORATION (US) 2000-08-01 US claimed
US-5700316-A COMPRISED OF COLORANT AND VEHICLE OF POLY(ALKYLENE OXIDE) ALKYLATE OR DIALKYLATE OR POLYOXA-ALKANOIC ESTER OR DIESTER XEROX CORPORATION (US) 1997-12-23 US claimed
US-6350795-B1 ACOUSTIC PHASE-CHANGE CONDUCTIVE INK CONTAINING LOW MOLECULAR WEIGHT OXYALKYLENE SEGMENTS COMPLEXED WITH UREA DERIVATIVES XEROX CORPORATION 2002-02-26 US disclosed
US-6096125-A Ink compositions XEROX CORPORATION (US) 2000-08-01 US disclosed
US-5700316-A COMPRISED OF COLORANT AND VEHICLE OF POLY(ALKYLENE OXIDE) ALKYLATE OR DIALKYLATE OR POLYOXA-ALKANOIC ESTER OR DIESTER XEROX CORPORATION (US) 1997-12-23 US disclosed