SCHEMBL732056

SCHEMBL732056

C=CC(OCOC(C)=O)OCOC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
USP2 O75604 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
RECQL P46063 1/20 0.34
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
GLA P06280 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
SCHEMBL28604021 0.92 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL9675581 0.75
SCHEMBL28599420 0.74 NAAA (0.34) ALDH1A1TSHRHPGDHIF1A
SCHEMBL11218965 0.72 TSHR (0.46) ALDH1A1HSD17B10TSHRSMN1; SMN2CYP3A4
SCHEMBL2254844 0.72
SCHEMBL15854876 0.70
SCHEMBL7785077 0.70
SCHEMBL7785079 0.70
SCHEMBL322669 0.69
Butadiene SCHEMBL3329726 0.69 ALDH1A1 (0.54) ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2

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
US-8389711-B2 Pharmaceutical composition for treatment of cancer and asthma KUREHA CORPORATION (JP) 2013-03-05 US disclosed
US-8138159-B2 Composition for inhibiting function of human Flt3 TAKARA BIO INC. (JP) 2012-03-20 US disclosed
EP-2377934-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CANCER AND ASTHMA Kureha Corporation (JP) 2011-10-19 EP disclosed
US-20110245325-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CANCER AND ASTHMA KUREHA CORPORATION (JP) 2011-10-06 US disclosed
US-20110105582-A1 Composition for inhibiting function of human flt3 TAKARA BIO INC. (JP) 2011-05-05 US disclosed