SCHEMBL3280474

SCHEMBL3280474

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.33
TSHR P16473 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
ALOX15 P16050 1/20 0.33
ACHE P22303 5/20 0.32
MMP2 P08253 2/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
DNM1 Q05193 2/20 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
SCHEMBL3279969 0.95 EPHX1 (0.37) EPHX1TSHRCA12CA1CA9
SCHEMBL3280469 0.93 EPHX1 (0.40) EPHX1TSHRDNM1
SCHEMBL3279923 0.93 TSHR (0.33) EPHX1TSHRCA12CA1CA9
SCHEMBL3282446 0.93 TSHR (0.37) EPHX1TSHRALOX15ACHEMMP2
SCHEMBL3280872 0.88 TSHR (0.40) EPHX1TSHRDNM1
SCHEMBL3286368 0.87 CA12 (0.34) TSHRCA12CA1CA9MMP2
SCHEMBL3278872 0.87 EPHX1 (0.34) EPHX1TSHRALOX15ACHEMMP2
SCHEMBL3280301 0.86 TSHR (0.42) EPHX1TSHRDNM1
SCHEMBL3280674 0.82 EPHX1 (0.38) EPHX1TSHR
SCHEMBL3278948 0.81 TSHR (0.32) TSHR

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