SCHEMBL4960967

SCHEMBL4960967

CCCCC=[C]c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.38
LMNA P02545 1/20 0.36
DNM1 Q05193 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
PCSK9 Q8NBP7 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 2/20 0.33
PTGS2 P35354 1/20 0.33
APP P05067 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1611004 1.00 LTA4H (0.38) LTA4HLMNADNM1TDP1CYP1A2
SCHEMBL7382992 0.94 LTA4H (0.39) LTA4HLMNADNM1TDP1CYP3A4
SCHEMBL1610492 0.94 LTA4H (0.39) LTA4HLMNADNM1TDP1CYP3A4
SCHEMBL17558059 0.92 DNM1 (0.41) LTA4HLMNADNM1TDP1TSHR
SCHEMBL1610523 0.92 DNM1 (0.41) LTA4HLMNADNM1TDP1TSHR
SCHEMBL3939370 0.92 DNM1 (0.41) LTA4HLMNADNM1TDP1TSHR
SCHEMBL26092597 0.92 DNM1 (0.41) LTA4HLMNADNM1TDP1TSHR
SCHEMBL8735182 0.92 DNM1 (0.41) LTA4HLMNADNM1TDP1TSHR
SCHEMBL1610832 0.87 APP (0.36) LTA4HLMNACYP1A2CYP3A4CYP2C9
SCHEMBL6158433 0.87 APP (0.36) LTA4HLMNACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102177169-A Process for preparing monovinyl-functionalized dialkylphosphinic acids, salts and esters thereof and use thereof CLARIANT FINANCE BVI LTD 2011-09-07 CN disclosed
EP-1880987-A1 PROCESS FOR PRODUCING CYCLOPROPYLPHENOL DERIVATIVE Sankyo Agro Company, Limited (JP) 2008-01-23 EP disclosed
CN-1039321-C New beta-amino-alpha-hydroxycarboxylic acids and their use SANKYO CO (JP) 1998-07-29 CN disclosed
CN-1064683-A New beta-amino-alpha-hydroxycarboxylic acids and uses thereof SANKYO CO (JP) 1992-09-23 CN disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed