SCHEMBL11937418

SCHEMBL11937418

CC(C)(O)C(=O)c1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.69
▸ GAA P10253 1/20 0.69
▸ ALDH1A1 P00352 5/20 0.67
▸ KDM4E B2RXH2 3/20 0.67
▸ THRB P10828 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ THRA P10827 1/20 0.56
▸ PSMB1 P20618 1/20 0.56
▸ PSMB5 P28074 1/20 0.56
▸ HRH3 Q9Y5N1 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA7 P43166 1/20 0.54
▸ CA9 Q16790 1/20 0.54

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
SCHEMBL12632239 0.91 SMN1; SMN2 (0.70) SMN1; SMN2GAAALDH1A1KDM4ETHRB
SCHEMBL11937425 0.87 PSMB1 (0.70) ALDH1A1KDM4ETHRBLMNAPSMB1
SCHEMBL4455251 0.84 ALDH1A1 (0.92) SMN1; SMN2GAAALDH1A1KDM4ETHRB
SCHEMBL991354 0.82 ALDH1A1 (0.76) SMN1; SMN2GAAALDH1A1KDM4ETHRB
SCHEMBL12670301 0.82 SMN1; SMN2 (1.00) SMN1; SMN2GAAALDH1A1KDM4ETHRB
SCHEMBL63569 0.82 SMN1; SMN2 (0.72) SMN1; SMN2GAAALDH1A1KDM4ETHRB
SCHEMBL990939 0.81 GAA (0.71) SMN1; SMN2GAAALDH1A1KDM4ETHRB
Hydrochloric Acid SCHEMBL7887532 0.81 ALDH1A1 (0.74) SMN1; SMN2GAAALDH1A1KDM4ETHRB
SCHEMBL3007594 0.81 GAA (0.71) SMN1; SMN2GAAALDH1A1KDM4ETHRB
Hydrochloric Acid SCHEMBL20575882 0.81 SMN1; SMN2 (0.70) SMN1; SMN2GAAALDH1A1KDM4ETHRB

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-8227047-B2 Radiation curable inkjet fluids and inks improved for photoyellowing AGFA GRAPHICS NV (BE) 2012-07-24 — — US disclosed
US-8227047-B2 Radiation curable inkjet fluids and inks improved for photoyellowing AGFA GRAPHICS NV (BE) 2012-07-24 — — US disclosed
US-20100330296-A1 RADIATION CURABLE INKJET FLUIDS AND INKS IMPROVED FOR PHOTOYELLOWING AGFA GRAPHICS NV (BE) 2010-12-30 — — US disclosed
US-20100330296-A1 RADIATION CURABLE INKJET FLUIDS AND INKS IMPROVED FOR PHOTOYELLOWING AGFA GRAPHICS NV (BE) 2010-12-30 — — US disclosed
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