SCHEMBL15475974

SCHEMBL15475974

CCCOC(=O)C(C)=CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
TSHR P16473 5/20 0.37
ALDH1A1 P00352 5/20 0.35
THRB P10828 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.33
ATM Q13315 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARG P37231 1/20 0.33
POLB P06746 1/20 0.33
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GLO1 Q04760 1/20 0.32
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 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
SCHEMBL13892047 0.85 TSHR (0.40) TSHRTHRBCYP2D6CYP2C19CHRM1
SCHEMBL7535767 0.85 HCAR2 (0.41) HCAR2TSHRALDH1A1THRBGAA
SCHEMBL10621006 0.85 HCAR2 (0.41) HCAR2TSHRALDH1A1THRBGAA
SCHEMBL1138995 0.84 CYP2D6 (0.38) HCAR2TSHRALDH1A1THRBGAA
SCHEMBL5293380 0.83 HCAR2 (0.39) HCAR2TSHRALDH1A1THRBGAA
SCHEMBL11330538 0.83 CYP2D6 (0.40) HCAR2TSHRALDH1A1THRBGAA
SCHEMBL821828 0.83 GLO1 (0.48) HCAR2TSHRALDH1A1GAASMN1; SMN2
SCHEMBL3980815 0.83 GLO1 (0.48) HCAR2TSHRALDH1A1GAASMN1; SMN2
SCHEMBL2419657 0.80 HCAR2 (0.43) HCAR2TSHRALDH1A1THRBGAA
SCHEMBL2351899 0.80 HCAR2 (0.43) HCAR2TSHRALDH1A1THRBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140050845-A1 PREPARATION OF HOLLOW POLYMER MICROSPHERES NAN YA PLASTICS CORPORATION (TW) 2014-02-20 US claimed
CN-1211422-C Polymer gel for orally taken and colon released medicine and its prepn UNIV CENTRAL CN SCI & TECH (CN) 2005-07-20 CN claimed
CN-1211422-C Polymer gel for orally taken and colon released medicine and its prepn UNIV CENTRAL CN SCI & TECH (CN) 2005-07-20 CN disclosed
CN-1213669-A modified ethylene resin with improved wettability MITSUBISHI CHEM CORP (JP) 1999-04-14 CN disclosed