SCHEMBL4644357

SCHEMBL4644357

[CH2]CCC(=O)OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 6/20 0.50
PRSS1 P07477 1/20 0.37
CTSG P08311 1/20 0.37
CTRB1 P17538 1/20 0.37
CMA1 P23946 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 2/20 0.34
HIF1A Q16665 1/20 0.34
CYP1A2 P05177 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 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
SCHEMBL4646095 0.90 KCNN4 (0.47) KCNN4PRSS1CTSGCTRB1CMA1
SCHEMBL4647869 0.86 KCNN4 (0.53) KCNN4NPSR1ALDH1A1TSHRCYP2C19
SCHEMBL4644723 0.83 CYP1A2 (0.47) KCNN4PRSS1CTSGCTRB1CMA1
SCHEMBL7587514 0.79 KCNN4 (0.68) KCNN4PRSS1CTSGCTRB1CMA1
SCHEMBL28021017 0.79 KCNN4 (0.53) KCNN4NPSR1ALDH1A1TSHRCYP2C19
SCHEMBL4642195 0.76 KCNN4 (0.59) KCNN4NPSR1ALDH1A1TSHRCYP2C19
SCHEMBL4643414 0.74 CYP1A2 (0.44) KCNN4PRSS1CTSGCTRB1CMA1
SCHEMBL4647395 0.73 LMNA (0.48) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL6555632 0.72 CES1 (0.46) KCNN4PRSS1CTSGCTRB1CMA1
SCHEMBL23798386 0.72 KCNN4 (0.59) KCNN4NPSR1ALDH1A1TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed