SCHEMBL5596030

SCHEMBL5596030

O/C=C/P(/C=C/O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
MAOB P27338 1/20 0.37
CALM1 P0DP23 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IDO1 P14902 2/20 0.34
THRB P10828 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
AKR1B1 P15121 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
TRPA1 O75762 1/20 0.33
ARG2 P78540 1/20 0.33
PLA2G10 O15496 1/20 0.32
PLA2G2A P14555 1/20 0.32
KEAP1 Q14145 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL5596316 0.78 TSHR (0.41) TSHRMAOBCALM1TDP1IDO1
SCHEMBL5596320 0.78 TSHR (0.41) TSHRMAOBCALM1TDP1IDO1
SCHEMBL7760888 0.71 MAOB (0.40) TSHRMAOBCALM1TDP1IDO1
SCHEMBL1304376 0.67 TSHR (0.48) TSHRMAOBCALM1TDP1IDO1
SCHEMBL2129272 0.67 TSHR (0.48) TSHRMAOBCALM1TDP1IDO1
SCHEMBL196203 0.66 CALM1 (0.50) TSHRMAOBCALM1TDP1IDO1
SCHEMBL1321 0.64 CALM1 (0.47) TSHRMAOBCALM1IDO1CES2
SCHEMBL18425558 0.64 CALM1 (0.47) TSHRMAOBCALM1TDP1IDO1
Hydrochloric Acid SCHEMBL11804664 0.64 CALM1 (0.47) TSHRMAOBCALM1TDP1IDO1
SCHEMBL11678015 0.64 CALM1 (0.47) TSHRMAOBCALM1TDP1IDO1

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
US-7279537-B2 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-09 US disclosed
US-20060229195-A1 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-12 US disclosed
EP-1557423-A1 TRANSITION METAL COMPLEXES AND POLYMERIZATION CATALYSTS Sumitomo Chemical Company, Limited (JP) 2005-07-27 EP disclosed