SCHEMBL18280666

SCHEMBL18280666

C=C(C=S)C(=O)OCCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
TSHR P16473 4/20 0.37
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRM5 P08912 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
KDM4E B2RXH2 1/20 0.35
DNM1 Q05193 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 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
SCHEMBL1275669 0.89 CHRM1 (0.47) GAAALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL6131317 0.80 TSHR (0.52) TSHRALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL112006 0.78 TSHR (0.58) GAATSHRALDH1A1L3MBTL1SMN1; SMN2
Iodide SCHEMBL1252765 0.77 TSHR (0.56) GAATSHRALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL16424054 0.77 GAA (0.42) GAATSHRALDH1A1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL1254834 0.77 TSHR (0.56) GAATSHRALDH1A1L3MBTL1SMN1; SMN2
Bromide SCHEMBL1254033 0.77 TSHR (0.56) GAATSHRALDH1A1L3MBTL1SMN1; SMN2
Fluoride SCHEMBL1254048 0.77 TSHR (0.56) GAATSHRALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4829182 0.76 TSHR (0.41) GAATSHRALDH1A1SMN1; SMN2LMNA
Chloromethane SCHEMBL28424215 0.75 TSHR (0.55) GAATSHRALDH1A1L3MBTL1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407527-B2 Charge-shifting polymers for tissue compatible hydrogels MCMASTER UNIVERSITY (CA) 2019-09-10 US claimed
US-20160355627-A1 CHARGE-SHIFTING POLYMERS FOR TISSUE COMPATIBLE HYDROGELS MCMASTER UNIVERSITY (CA) 2016-12-08 US claimed
US-10407527-B2 Charge-shifting polymers for tissue compatible hydrogels MCMASTER UNIVERSITY (CA) 2019-09-10 US disclosed
US-20160355627-A1 CHARGE-SHIFTING POLYMERS FOR TISSUE COMPATIBLE HYDROGELS MCMASTER UNIVERSITY (CA) 2016-12-08 US disclosed