SCHEMBL27657692

SCHEMBL27657692

CCCCCCCCCO[PH](=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LTA4H P09960 1/20 0.43
CYP3A4 P08684 2/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9810579 1.00 TSHR (0.45) TSHRLMNAALDH1A1LTA4HCYP3A4
SCHEMBL3817411 1.00 TSHR (0.45) TSHRLMNAALDH1A1LTA4HCYP3A4
SCHEMBL27657814 1.00 TSHR (0.45) TSHRLMNAALDH1A1LTA4HCYP3A4
SCHEMBL29241732 1.00 TSHR (0.45) TSHRLMNAALDH1A1LTA4HCYP3A4
SCHEMBL27532661 1.00 TSHR (0.45) TSHRLMNAALDH1A1LTA4HCYP3A4
SCHEMBL27509699 1.00 TSHR (0.45) TSHRLMNAALDH1A1LTA4HCYP3A4
Ammonia Solution, Strong SCHEMBL9441912 0.98 TSHR (0.44) TSHRLMNAALDH1A1LTA4HCYP3A4
SCHEMBL27492981 0.98 LTA4H (0.44) TSHRLMNAALDH1A1LTA4HCYP3A4
SCHEMBL1726499 0.93 LTA4H (0.44) TSHRLMNAALDH1A1LTA4HCYP3A4
Ammonia Solution, Strong SCHEMBL9441905 0.89 KCNA3 (0.38) TSHRLMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102292391-A Heavy metal-free stabilizer composition for halogen-containing polymers 2011-12-21 CN disclosed
CN-101365729-B Method for producing conjugated diene polymer, and rubber composition JSR CORP 2010-08-11 CN disclosed
CN-101384669-A Thermoplastic resin composition and liquid crystal display part or information recording medium part using the composition POLYPLASTICS CO (JP) 2009-03-11 CN disclosed
CN-101365729-A Method for producing conjugated diene polymer, and rubber composition JSR CORP (JP) 2009-02-11 CN disclosed
CN-101356215-A Thermoplastic elastomer composition, foam product, and process for production of the composition or foam product JSR CORP (JP) 2009-01-28 CN disclosed
CN-1828383-A Liquid crystal display component POLYPLASTICS CO (JP) 2006-09-06 CN disclosed