SCHEMBL1628754

SCHEMBL1628754

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CES1 P23141 6/20 0.42
CES2 O00748 5/20 0.42
ALDH1A1 P00352 4/20 0.41
CA1 P00915 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
TP53 P04637 1/20 0.39
AKR1B1 P15121 1/20 0.34
MGLL Q99685 1/20 0.34
PPARG P37231 3/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
TSHR P16473 2/20 0.33
GPR84 Q9NQS5 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
TLR2 O60603 1/20 0.33

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
SCHEMBL648954 0.92 CES2 (0.46) CES1CES2ALDH1A1PPARGPPARD
SCHEMBL194525 0.92 CES2 (0.46) CES1CES2ALDH1A1PPARGPPARD
SCHEMBL11243264 0.91 LMNA (0.52) LMNAALDH1A1CA1CA12CA9
SCHEMBL1629859 0.86 LMNA (0.41) LMNACES1CES2ALDH1A1CA1
SCHEMBL1629289 0.85 CES1 (0.41) CES1CES2ALDH1A1CA1CA12
SCHEMBL1629571 0.85 CA1 (0.47) CES1CES2ALDH1A1CA1CA12
SCHEMBL11243249 0.83 LMNA (0.45) LMNAALDH1A1CA1CA12CA9
SCHEMBL1042979 0.83 LMNA (0.40) LMNAALDH1A1CA1CA12CA9
SCHEMBL1629316 0.83 CA12 (0.41) CES1CES2ALDH1A1CA1CA12
SCHEMBL2505688 0.82 BLM (0.43) LMNAALDH1A1TSHRHDAC11MEN1

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