SCHEMBL4420898

SCHEMBL4420898

C=COCCNc1cccc(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
HTT P42858 1/20 0.62
F2 P00734 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ICMT O60725 2/20 0.40
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL6995577 0.83 MAPT (0.71) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4632064 0.79 MEN1 (0.58) MAPTF2POLBLMNAMEN1
M-Xylene SCHEMBL17601872 0.79 ACHE (0.52) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8373327 0.78 MAPT (1.00) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
Vinyl Ether SCHEMBL4420900 0.78 MAPT (0.59) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18338114 0.77 MAPT (0.62) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28997881 0.75 MAPT (0.77) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12074773 0.75 MAPT (0.65) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11111034 0.75 MAPT (0.83) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9018956 0.74 DRD2 (0.63) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444302-B1 LEVELLING AGENT AND ANTI-CRATERING AGENT CIBA HOLDING INC (CH) 2009-06-17 EP disclosed
US-7173084-B2 Levelling agent and anti-cratering agent EFKA ADDITIVES B.V. (NL) 2007-02-06 US disclosed
US-20040236007-A1 Levelling agent and anti-cratering agent CIBA SPECIALTY CHEMICALS CORPORATION 2004-11-25 US disclosed
EP-1444302-A1 LEVELLING AGENT AND ANTI-CRATERING AGENT Efka Additives B.V. (NL) 2004-08-11 EP disclosed
WO-2003033603-A1 LEVELLING AGENT AND ANTI-CRATERING AGENT EFKA ADDITIVES B.V. (NL) 2003-04-24 WO disclosed
US-4075237-A Perfluorinated esters of fumaric acid and certain other ethylenically unsaturated poly-basic acid and soil repellant polymers thereof GEIGY CHEMICAL CORPORATION (US) 1978-02-21 US disclosed
US-3949136-A OIL REPELLENTS, WATERPROOFING TEXTILES CIBA-GEIGY AG (CH) 1976-04-06 US disclosed