SCHEMBL5084328

SCHEMBL5084328

C=C(C(=O)OCCC)C(O)CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
THRB P10828 1/20 0.36
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CASP1 P29466 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
CHRM1 P11229 2/20 0.31

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
SCHEMBL5252175 0.89 TSHR (0.49) TSHRHCAR2ALDH1A1TDP1GPR84
SCHEMBL28708751 0.86 TSHR (0.40) TSHRTHRBCASP1HCAR2GAA
SCHEMBL5078362 0.86 CASP1 (0.44) TSHRTHRBCASP1GAAALDH1A1
SCHEMBL10954723 0.86 TSHR (0.59) TSHRHCAR2GPR84NAAAFFAR1
SCHEMBL6685570 0.84 TSHR (0.38) TSHRTHRBALDH1A1GPR84FFAR1
SCHEMBL2527545 0.82 ALDH1A1 (0.41) TSHRHDAC1HDAC2HDAC7HDAC8
SCHEMBL1593009 0.82 TSHR (0.42) TSHRTHRBCASP1HCAR2GAA
SCHEMBL4653225 0.80 TSHR (0.41) TSHRTHRBCASP1HCAR2GAA
SCHEMBL6685907 0.79 TSHR (0.46) TSHRHCAR2ALDH1A1GPR84NAAA
SCHEMBL21638809 0.79 TSHR (0.59) TSHRHCAR2GPR84NAAAFFAR1

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-1752475-B1 Lactone ring-containing polymer having few foreign matters and not easily causing gelation, and its applications NIPPON CATALYTIC CHEM IND (JP) 2008-11-05 EP disclosed
US-20070037962-A1 Lactone ring-containing polymer having few foreign matters and not easily causing gelation, and its applications NIPPON SHOKUBAI CO., LTD. (JP) 2007-02-15 US disclosed
EP-1752475-A1 Lactone ring-containing polymer having few foreign matters and not easily causing gelation, and its applications NIPPON SHOKUBAI CO., LTD. (JP) 2007-02-14 EP disclosed