SCHEMBL7085160

SCHEMBL7085160

CC(C)C=C(C(=O)OCCCO)C(=O)OCCCO

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.32
TSHR P16473 2/20 0.32
ATM Q13315 1/20 0.31
GRIK1 P39086 2/20 0.31
GRIA2 P42262 2/20 0.31
GRIA4 P48058 2/20 0.31
GRIK3 Q13003 2/20 0.31
GRIK5 Q16478 2/20 0.31
GRIA1 P42261 1/20 0.31
GRIK2 Q13002 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GLO1 Q04760 1/20 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
SCHEMBL6680145 0.91 GRIK1 (0.35) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL15913734 0.85 ATM (0.48) TSHRATMNPSR1
SCHEMBL13517239 0.81 ATM (0.48) TSHRATMNPSR1
SCHEMBL15913414 0.80 HCAR2 (0.39) TSHRATMNPSR1GLO1
SCHEMBL2920090 0.75 NPSR1 (0.54) TSHRNPSR1GLO1
SCHEMBL15913535 0.74 ATM (0.46) TSHRATMNPSR1
SCHEMBL21986772 0.74 TSHR (0.34) ACHETSHRATM
SCHEMBL15913828 0.74 TSHR (0.52) TSHRNPSR1GLO1
SCHEMBL1538414 0.73 TSHR (0.38) ACHETSHRATM
SCHEMBL7105688 0.73 ATM (0.41) TSHRATMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030165701-A1 Water borne ambient temperature curable coating composition AKZO NOBEL N.V. (NL) 2003-09-04 US claimed
US-20030165701-A1 Water borne ambient temperature curable coating composition AKZO NOBEL N.V. (NL) 2003-09-04 US disclosed