SCHEMBL1630767

SCHEMBL1630767

C=C(CCCC)C(=O)N(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.39
CES2 O00748 6/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.37
CA1 P00915 2/20 0.35
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1B1 P15121 1/20 0.32
TSHR P16473 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL1629285 0.88 CES2 (0.35) CES1CES2ALDH1A1TSHR
SCHEMBL1629843 0.77 CA1 (0.39) CES1CES2ALDH1A1TP53CA1
SCHEMBL696791 0.77 ALDH1A1 (0.54) CES1CES2ALDH1A1TP53CA1
SCHEMBL2694671 0.77 CES1 (0.44) CES1CES2ALDH1A1TP53CA1
SCHEMBL1628754 0.75 LMNA (0.43) CES1CES2ALDH1A1TP53CA1
SCHEMBL12989173 0.74 ALDH1A1 (0.56) CES1CES2ALDH1A1TP53CA1
SCHEMBL1629289 0.73 CES1 (0.41) CES1CES2ALDH1A1TP53CA1
SCHEMBL1629571 0.73 CA1 (0.47) CES1CES2ALDH1A1TP53CA1
SCHEMBL30884153 0.72 ALDH1A1 (0.54) CES1CES2ALDH1A1TP53CA1
SCHEMBL30490643 0.72 ALDH1A1 (0.54) CES1CES2ALDH1A1TP53CA1

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-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US claimed
US-20110089114-A1 PROCESS FOR ABSORBING AND ADSORBING OIL DEGRADATION PRODUCTS FROM LUBRICATING OILS LIVINGSTONE GREGORY J 2011-04-21 US disclosed
WO-2010121042-A1 PROCESS FOR ABSORBING AND ADSORBING OIL DEGRADATION PRODUCTS FROM LUBRICATING OILS FLUITEC INTERNATIONAL (US) 2010-10-21 WO disclosed
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US disclosed