SCHEMBL6883941

SCHEMBL6883941

CCCCC(CC)COC(=O)OC(=CC=C(c1ccccc1)c1ccccc1)OC(=O)OCC(CC)CCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
CYP3A4 P08684 4/20 0.53
CA2 P00918 1/20 0.53
LMNA P02545 4/20 0.52
MAPK1 P28482 3/20 0.52
PRSS1 P07477 4/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
TSHR P16473 3/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 1/20 0.43
RECQL P46063 1/20 0.38
CTSG P08311 3/20 0.37
CTRB1 P17538 3/20 0.37
CMA1 P23946 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7162160 0.83 ALDH1A1 (0.60) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL230580 0.80 ALDH1A1 (0.60) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL79515 0.77 ALDH1A1 (0.76) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL30825765 0.77 ALDH1A1 (0.76) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL5489987 0.75 CYP3A4 (0.66) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL27543081 0.75 ALDH1A1 (0.72) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL11177661 0.75 ALDH1A1 (0.63) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL4735450 0.75 ALDH1A1 (0.67) ALDH1A1CYP3A4CA2LMNAMAPK1
Acetophenone SCHEMBL23161891 0.74 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAMAPK1
Benzoic Acid SCHEMBL28570741 0.74 ALDH1A1 (0.70) ALDH1A1CYP3A4CA2LMNAMAPK1

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-1191041-B1 Aqueous polymer dispersions containing colorants BASF AG (DE) 2004-12-15 EP disclosed
EP-1191041-A2 Aqueous polymer dispersions containing colorants BASF AKTIENGESELLSCHAFT (DE) 2002-03-27 EP disclosed
EP-1092416-A2 Use of free-flowing polymers PF incorporating dyes as colouring components in cosmetics BASF AKTIENGESELLSCHAFT (DE) 2001-04-18 EP disclosed