SCHEMBL4645733

SCHEMBL4645733

CCC(Br)[CH]C(=O)OC(=O)Cc1ccc(OC)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.51
RIN1 Q13671 1/20 0.51
LDHA P00338 1/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
LMNA P02545 5/20 0.44
HTT P42858 4/20 0.44
NPC1 O15118 1/20 0.44
GLA P06280 1/20 0.44
KLK7 P49862 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42

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
SCHEMBL4641884 0.87 ABL1 (0.53) ABL1RIN1LDHAMAPTALDH1A1
SCHEMBL4646142 0.80 ABL1 (0.50) ABL1RIN1LDHAMAPTALDH1A1
SCHEMBL4643603 0.80 LMNA (0.52) ABL1RIN1LDHAMAPTALDH1A1
SCHEMBL4645870 0.79 ABL1 (0.52) ABL1RIN1LDHAMAPTALDH1A1
SCHEMBL4641802 0.78 ABL1 (0.48) ABL1RIN1LDHAMAPTALDH1A1
SCHEMBL4643466 0.75 ABL1 (0.56) ABL1RIN1LDHAMAPTALDH1A1
SCHEMBL4643462 0.74 ABL1 (0.55) ABL1RIN1LDHAMAPTALDH1A1
SCHEMBL29626821 0.73 ALDH1A1 (0.62) ABL1RIN1LDHAMAPTALDH1A1
SCHEMBL198282 0.73 ALDH1A1 (0.62) ABL1RIN1LDHAMAPTALDH1A1
SCHEMBL4643607 0.73 ABL1 (0.53) ABL1RIN1LDHAMAPTALDH1A1

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