SCHEMBL4642079

SCHEMBL4642079

CCC(C(=O)O[SiH2]c1ccc(C)cc1)(C(=O)O[SiH2]c1ccc(C)cc1)C(=O)O[SiH2]c1ccc(C)c(O)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CNR2 P34972 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
AR P10275 1/20 0.30
NPC1 O15118 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4644321 0.86 ALDH1A1 (0.38) ALDH1A1CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4645470 0.74 LMNA (0.32) ALDH1A1POLBMAPTNPC1TDP1
SCHEMBL4645863 0.72 LMNA (0.30) TDP1
SCHEMBL4643854 0.71 ALDH1A1 (0.37) ALDH1A1MEN1GAAKMT2AMAPT
SCHEMBL4643587 0.69 ALDH1A1 (0.34) ALDH1A1MEN1GAAKMT2ATDP1
SCHEMBL4647341 0.69 ALDH1A1 (0.34) ALDH1A1MEN1GAAKMT2AMAPT
SCHEMBL4644556 0.68 TRPA1 (0.33) ALDH1A1GAAKMT2APOLBMAPT
SCHEMBL4643335 0.63 ALDH1A1 (0.38) ALDH1A1MEN1GAAKMT2AMAPT
SCHEMBL6555621 0.62 LMNA (0.36) ALDH1A1GAAKMT2APOLBNPC1
SCHEMBL4642545 0.61 RAB9A (0.36) ALDH1A1MEN1KMT2ANPC1

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