SCHEMBL3286368

SCHEMBL3286368

C=C(C)C(=O)N(CCCC)NCC

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
TSHR P16473 2/20 0.34
KDM5A P29375 8/20 0.33
KDM4C Q9H3R0 8/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PHF8 Q9UPP1 3/20 0.32
KDM4A O75164 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
SCHEMBL3279537 0.89 TSHR (0.32) CA12CA9TSHR
SCHEMBL3280474 0.87 EPHX1 (0.33) CA12CA1CA9TSHRMMP1
SCHEMBL3279923 0.87 TSHR (0.33) CA12CA1CA9TSHRMMP1
SCHEMBL3279969 0.86 EPHX1 (0.37) CA12CA1CA9TSHRTHRA
SCHEMBL3280469 0.84 EPHX1 (0.40) TSHRTHRATHRB
SCHEMBL3283747 0.83 CA12 (0.35) CA12CA1CA9TSHRKDM5A
SCHEMBL3279936 0.80 ALDH1A1 (0.31)
SCHEMBL28029776 0.80 TSHR (0.33) CA12CA1CA9TSHRMMP1
SCHEMBL3282446 0.80 TSHR (0.37) TSHRMMP2
SCHEMBL3280872 0.79 TSHR (0.40) TSHRTHRATHRB

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 6 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
EP-1077669-A1 COSMETIC PRODUCT BASF AKTIENGESELLSCHAFT (DE) 2001-02-28 EP disclosed
WO-1999058100-A1 COSMETIC PRODUCT BASF AKTIENGESELLSCHAFT (DE) 1999-11-18 WO disclosed