SCHEMBL4249632

SCHEMBL4249632

CN(C)CCOCC(O)CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
AGTR1 P30556 1/20 0.35
MAPT P10636 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRM3 P20309 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7531837 0.89 HSD17B10 (0.41) USP2CA12CA1CA2CA9
SCHEMBL24615028 0.88 USP2 (0.58) USP2HSD17B10LMNACYP1A2AGTR1
SCHEMBL19151386 0.88 USP2 (0.58) USP2HSD17B10LMNACYP1A2AGTR1
SCHEMBL9972863 0.87 USP2 (0.52) USP2HSD17B10LMNACYP1A2AGTR1
SCHEMBL8066287 0.84 CA12 (0.47) USP2CA12CA1CA2CA9
SCHEMBL20041604 0.83 HSD17B10 (0.41) USP2CA12CA1CA2CA9
SCHEMBL10884401 0.83 HSD17B10 (0.41) USP2CA12CA1CA2CA9
SCHEMBL7204254 0.83 HSD17B10 (0.41) USP2CA12CA1CA2CA9
SCHEMBL17154471 0.82 USP2 (0.47) USP2HSD17B10LMNACYP1A2AGTR1
SCHEMBL17261675 0.81 CA1 (0.36) USP2CA12CA1CA2CA9

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-20090170808-A1 ORAL AGENT FOR IMPROVING AND PROTECTING THE FUNCTION OF JOINT COMPRISING HYALURONIC ACID-PHOSPHOLIPID COMPLEXES LING, PEIXUE (CN) 2009-07-02 US claimed
EP-3074488-A1 HYBRID SOLVENT FORMULATIONS FOR SELECTIVE H2S REMOVAL Dow Global Technologies LLC (US) 2016-10-05 EP disclosed
EP-3062912-A1 HYBRID SOLVENT FORMULATIONS FOR TOTAL ORGANIC SULFUR REMOVAL AND TOTAL ACIDIC GAS REMOVAL Dow Global Technologies LLC (US) 2016-09-07 EP disclosed
WO-2015065842-A1 HYBRID SOLVENT FORMULATIONS FOR TOTAL ORGANIC SULFUR REMOVAL AND TOTAL ACIDIC GAS REMOVAL DOW GLOBAL TECHNOLOGIES LLC (US) 2015-05-07 WO disclosed
WO-2015065839-A1 HYBRID SOLVENT FORMULATIONS FOR SELECTIVE H2S REMOVAL DOW GLOBLAL TECHNOLOGIES LLC (US) 2015-05-07 WO disclosed