Sugi Predict

Sugi Predict / Compounds / SCHEMBL2425803

SCHEMBL2425803

SCHEMBL2425803

CCCCC(CC)CC(CC(CC)CCCC)(C(=O)[O-])C(C(=O)[O-])S(=O)(=O)O.CCCCC(CC)CC(CC(CC)CCCC)(C(=O)[O-])C(C(=O)[O-])S(=O)(=O)O.CCCCC(CC)CC(CC(CC)CCCC)(C(=O)[O-])C(C(=O)[O-])S(=O)(=O)O.[Al+3].[Al+3]

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.43
▸ RECQL P46063 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.35
▸ CYP3A4 P08684 6/20 0.34
▸ TSHR P16473 5/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CA1 P00915 2/20 0.33
▸ NFKB1 P19838 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL51224 0.97 CA2 (0.45) CA2RECQLALDH1A1CYP3A4TSHR
Lithium Ion SCHEMBL20526054 0.97 CA2 (0.43) CA2RECQLALDH1A1CYP3A4TSHR
Silver SCHEMBL2027794 0.97 CA2 (0.43) CA2RECQLALDH1A1CYP3A4TSHR
Potassium Ion SCHEMBL817853 0.97 CA2 (0.43) CA2RECQLALDH1A1CYP3A4TSHR
SCHEMBL9949600 0.97 CA2 (0.43) CA2RECQLALDH1A1CYP3A4TSHR
SCHEMBL8903389 0.89 CYP3A4 (0.41) CA2RECQLCYP3A4TSHRCA1
SCHEMBL10932193 0.89 CA2 (0.40) CA2RECQLALDH1A1CYP3A4TSHR
SCHEMBL31061740 0.88 CA2 (0.46) CA2RECQLCYP3A4TSHRCA1
SCHEMBL29957551 0.86 CA2 (0.45) CA2RECQLALDH1A1CYP3A4TSHR
SCHEMBL21330553 0.86 CA2 (0.35) CA2RECQLALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440381-B2 Liquid electrophotographic ink with a charge director system HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2013-05-14 — — US claimed
US-20110217650-A1 LIQUID ELECTROPHOTOGRAPHIC INK WITH A CHARGE DIRECTOR SYSTEM HEWLETT-PARKARD DEVELOPMENT COMPANY, L.P. (US) 2011-09-08 — — US claimed
US-8440381-B2 Liquid electrophotographic ink with a charge director system HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2013-05-14 — — US disclosed
US-20110217650-A1 LIQUID ELECTROPHOTOGRAPHIC INK WITH A CHARGE DIRECTOR SYSTEM HEWLETT-PARKARD DEVELOPMENT COMPANY, L.P. (US) 2011-09-08 — — US disclosed
US-4879197-A ANTIFOGGING AGENTS MITSUBISHI PAPER MILLS, LTD. (JP) 1989-11-07 — — US disclosed