SCHEMBL4644723

SCHEMBL4644723

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KCNN4 O15554 1/20 0.36
PRSS1 P07477 1/20 0.35
CTSG P08311 1/20 0.35
CTRB1 P17538 1/20 0.35
CMA1 P23946 1/20 0.35
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 2/20 0.31
CHRM2 P08172 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
SCHEMBL4643414 0.91 CYP1A2 (0.44) CYP1A2CNR1CNR2KCNN4PRSS1
SCHEMBL4643825 0.87 CYP1A2 (0.50) CYP1A2CNR1CNR2KCNN4PRSS1
SCHEMBL4644357 0.83 KCNN4 (0.50) CYP1A2KCNN4PRSS1CTSGCTRB1
SCHEMBL4641844 0.78 CYP1A2 (0.55) CYP1A2CNR1CNR2KCNN4TSHR
SCHEMBL4646095 0.74 KCNN4 (0.47) CYP1A2KCNN4PRSS1CTSGCTRB1
SCHEMBL4641850 0.74 CYP1A2 (0.55) CYP1A2CNR1CNR2KCNN4TSHR
SCHEMBL10725564 0.73 CYP1A2 (0.59) CYP1A2CNR1CNR2KCNN4TSHR
SCHEMBL4644216 0.73 TBXAS1 (0.37) CYP1A2KCNN4ALDH1A1CYP3A4CYP2C9
SCHEMBL4643424 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4644364 0.72 CYP1A2 (0.41) CYP1A2CNR1CNR2KCNN4CYP2C19

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