SCHEMBL2836808

SCHEMBL2836808

C=C(C)C(=O)N(CC)N(CCCCCC)CCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
DNM1 Q05193 3/20 0.34
CES2 O00748 4/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
CES1 P23141 3/20 0.33
MGLL Q99685 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
PPARG P37231 4/20 0.32
PPARD Q03181 4/20 0.32
PPARA Q07869 4/20 0.32
GPR84 Q9NQS5 3/20 0.32
HDAC11 Q96DB2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL3280587 0.98 TSHR (0.38) TSHRTHRATHRBDNM1CES2
SCHEMBL3280987 0.93 CA12 (0.37) TSHRTHRATHRBCES1CA12
SCHEMBL3280222 0.89 TSHR (0.41) TSHRTHRATHRBDNM1CES2
SCHEMBL3280802 0.89 TSHR (0.41) TSHRTHRATHRBDNM1CES2
SCHEMBL3280644 0.87 TSHR (0.38) TSHRTHRATHRBDNM1CES2
SCHEMBL3285680 0.87 TSHR (0.38) TSHRTHRATHRBDNM1CES2
SCHEMBL2834874 0.85 CA12 (0.31) CA12CA2CA9
SCHEMBL3282452 0.83 CA12 (0.36) TSHRTHRATHRBCES2CES1
SCHEMBL3280480 0.81 CA12 (0.35) TSHRTHRATHRBCES1CA12
SCHEMBL3279935 0.80 TSHR (0.42) TSHRTHRATHRBDNM1CES2

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-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-20100038471-A1 Suspension system for aircraft auxiliary power unit with elastomeric member LORD CORPORATION (US) 2010-02-18 US disclosed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US disclosed