SCHEMBL3278091

SCHEMBL3278091

CCCN(C=CC(=O)O)CCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.39
TSHR P16473 3/20 0.36
TP53 P04637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
SLC6A2 P23975 1/20 0.33
MAPK1 P28482 1/20 0.32
GABRR3 A8MPY1 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRR2 P28476 1/20 0.32
BLM P54132 1/20 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
SCHEMBL28831593 1.00 HCAR2 (0.39) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL3278419 0.86 HCAR2 (0.42) HCAR2ALDH1A1ZDHHC20CA12CA9
SCHEMBL3281988 0.83 ZDHHC20 (0.49) HCAR2TSHRALDH1A1ZDHHC20
SCHEMBL3279210 0.83 ZDHHC20 (0.49) HCAR2TSHRALDH1A1ZDHHC20
SCHEMBL3281967 0.83 ZDHHC20 (0.49) HCAR2TSHRALDH1A1ZDHHC20
SCHEMBL9237665 0.81 CA12 (0.34) TSHRALDH1A1CA12CA2CA9
SCHEMBL322855 0.80 TSHR (0.40) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL11144144 0.80 TSHR (0.40) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL9705597 0.78 TSHR (0.38) TSHRTP53EGLN1EGLN3ALDH1A1
Fumaric Acid SCHEMBL5874569 0.75 TSHR (0.47) HCAR2TSHRTP53EGLN1EGLN3

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-20070113353-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY 2007-05-24 US claimed
US-20100160487-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY (US) 2010-06-24 US disclosed
US-7699941-B2 Polymeric surface treatment compositions THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20070113353-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY 2007-05-24 US disclosed