SCHEMBL3280644

SCHEMBL3280644

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
CES2 O00748 5/20 0.32
CES1 P23141 4/20 0.31
DNM1 Q05193 3/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
AKR1B1 P15121 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL3280222 0.98 TSHR (0.41) TSHRTHRATHRBZDHHC20ZDHHC2
SCHEMBL3280480 0.94 CA12 (0.35) TSHRTHRATHRBCES1CA12
SCHEMBL3285680 0.93 TSHR (0.38) TSHRTHRATHRBZDHHC20ZDHHC2
SCHEMBL3280802 0.91 TSHR (0.41) TSHRTHRATHRBZDHHC20ZDHHC2
SCHEMBL3280587 0.89 TSHR (0.38) TSHRTHRATHRBZDHHC20ZDHHC2
SCHEMBL3282452 0.89 CA12 (0.36) TSHRTHRATHRBCES2CES1
SCHEMBL3282416 0.88 CA12 (0.32) TSHRCA12CA9
SCHEMBL2836808 0.87 TSHR (0.41) TSHRTHRATHRBZDHHC20ZDHHC2
SCHEMBL3280305 0.87 CA12 (0.35) TSHRTHRATHRBCES1CA12
SCHEMBL3280987 0.83 CA12 (0.37) TSHRTHRATHRBCES1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US claimed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US claimed
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