SCHEMBL1628362

SCHEMBL1628362

C=C(CCC)C(=O)N(CCCCC)CCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
MGLL Q99685 1/20 0.40
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
CES2 O00748 4/20 0.38
CES1 P23141 4/20 0.38
AKR1B1 P15121 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ALDH2 P05091 1/20 0.36
GPR84 Q9NQS5 2/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35

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
SCHEMBL2843726 0.98 MGLL (0.43) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL1628366 0.94 CA12 (0.47) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL1629316 0.92 CA12 (0.41) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL1079303 0.92 CES2 (0.43) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL476918 0.91 MGLL (0.49) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL1629808 0.90 MGLL (0.43) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL6142622 0.88 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL1629571 0.86 CA1 (0.47) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL6449251 0.85 ZDHHC20 (0.40) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL1628759 0.85 CA12 (0.43) CA12CA1CA9CA2CES2

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