SCHEMBL4644873

SCHEMBL4644873

CC[CH]C(=O)OC(=O)Cc1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
KLK7 P49862 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
CTBP2 P56545 1/20 0.45
TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL4644775 0.88 KMT2A (0.52) KMT2AALDH1A1CYP3A4CYP2C19HTT
SCHEMBL4647334 0.84 KMT2A (0.48) KMT2AALDH1A1HTTTDP1GAA
SCHEMBL4642517 0.84 KMT2A (0.54) KMT2AALDH1A1CYP3A4CYP2C19HTT
SCHEMBL3231393 0.83 HTT (0.63) KMT2AALDH1A1CYP3A4CYP2C19HTT
SCHEMBL4644794 0.83 POLB (0.48) KMT2AALDH1A1L3MBTL1KLK7
SCHEMBL4644518 0.82 TSHR (0.50) KMT2AALDH1A1L3MBTL1MEN1SMN1; SMN2
SCHEMBL4646142 0.81 ABL1 (0.50) KMT2AALDH1A1CYP3A4CYP2C19HTT
SCHEMBL4642351 0.79 HSD17B10 (0.58) KMT2AMEN1
SCHEMBL3231401 0.78 KMT2A (0.58) KMT2AALDH1A1CYP3A4CYP2C19HTT
SCHEMBL4644289 0.78 KMT2A (0.47) KMT2ACYP2C19GAAMEN1SMN1; SMN2

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