SCHEMBL1278230

SCHEMBL1278230

CCCCC(CC)CN(CCO)CCO.O=C(O)C(O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CTSK P43235 6/20 0.39
▸ CTSL P07711 3/20 0.39
▸ CTSB P07858 3/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CTSH P09668 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CSNK1E P49674 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ MME P08473 2/20 0.36
▸ ACE P12821 1/20 0.36
▸ CPA1 P15085 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ S1PR2 O95136 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 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
SCHEMBL28793291 0.78 ALDH1A1 (0.42) ALDH1A1KDM4ECA2CYP3A4LMNA
SCHEMBL1277852 0.76 ALDH1A1 (0.54) ALDH1A1KDM4ECA2CYP3A4LMNA
SCHEMBL31140140 0.74 CA2 (0.42) ALDH1A1CA2CYP3A4PPARATSHR
SCHEMBL28435304 0.73 CA2 (0.41) ALDH1A1CA2CYP3A4PPARATSHR
SCHEMBL474295 0.73 ALDH1A1 (0.54) ALDH1A1KDM4ECA2CYP3A4LMNA
SCHEMBL28541195 0.73 ALDH1A1 (0.44) ALDH1A1KDM4ECA2CYP3A4LMNA
SCHEMBL28793292 0.73 ALDH1A1 (0.40) ALDH1A1KDM4ECA2CYP3A4LMNA
SCHEMBL15431229 0.73 OPRM1 (0.48) ALDH1A1KDM4E
SCHEMBL28221097 0.72 ALDH1A1 (0.47) ALDH1A1KDM4ECA2CYP3A4LMNA
SCHEMBL8161023 0.72 KCNH2 (0.45) CSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343901-B2 Lubricating composition containing multifunctional hydroxylated amine salt of a hindered phenolic acid CHEVRON ORONITE COMPANY LLC (US) 2013-01-01 — — US disclosed
US-20120088708-A1 LUBRICATING COMPOSITION CONTAINING MULTIFUNCTIONAL HYDROXYLATED AMINE SALT OF A HINDERED PHENOLIC ACID CHEVRON ORONITE COMPANY LLC. 2012-04-12 — — US disclosed
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