SCHEMBL3811535

SCHEMBL3811535

C=CCOC(C)(CC)OC(N)=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL9446509 0.82 ALOX15 (0.42) TSHRLMNAHSD17B10ALOX15
SCHEMBL10824758 0.78 TSHR (0.35) TSHR
SCHEMBL9493223 0.72 ALOX15 (0.37) TSHRLMNAHSD17B10ALOX15
SCHEMBL29000388 0.72 TDP1 (0.36) TSHRLMNAHSD17B10ALOX15
SCHEMBL28401523 0.69 LMNA (0.43) TSHRMAPTCACNA1BAPBA1LMNA
SCHEMBL8850951 0.69 HTT (0.32)
SCHEMBL10521805 0.68 TSHR (0.34) TSHR
Acrylic Acid SCHEMBL27298942 0.68 LMNA (0.36) TSHRLMNAHSD17B10ALOX15
SCHEMBL8084434 0.68 ALDH1A1 (0.32)
Allylamine SCHEMBL4894416 0.67 ALDH1A1 (0.39) TSHRMAPTLMNAHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829599-B2 Tensio-active glucoside urethanes TIENSE SUIKERRAFFINADERIJ N.V. (BE) 2010-11-09 US disclosed
US-7485689-B2 Tensio-active glucoside urethanes TIENSE SUIKERRAFFINADERIJ N.V. (BE) 2009-02-03 US disclosed
US-20070191565-A1 TENSIO-ACTIVE GLUCOSIDE URETHANES STEVENS CHRISTIAN V 2007-08-16 US disclosed
EP-1237932-B1 TENSIO-ACTIVE GLUCOSIDE URETHANES TIENSE SUIKERRAFFINADERIJ NV (BE) 2006-04-05 EP disclosed
US-20030125482-A1 Tensio-active glucoside urethanes TIENSE SUIKERRAFFINADERIJ N.V. (BE) 2003-07-03 US disclosed
US-6534647-B1 Surface-active alkylurethanes of fructans TIENSE SUIKERRAFFINADERIJ N.V. (BE) 2003-03-18 US disclosed
EP-1086197-B1 SURFACE-ACTIVE ALKYLURETHANES OF FRUCTANS TIENSE SUIKERRAFFINADERIJ NV (BE) 2002-12-18 EP disclosed
EP-1237932-A1 TENSIO-ACTIVE GLUCOSIDE URETHANES Tiense Suikerraffinaderij N.V. (BE) 2002-09-11 EP disclosed
WO-2001044303-A1 TENSIO-ACTIVE GLUCOSIDE URETHANES TIENSE SUIKERRAFFINADERIJ N.V. (BE) 2001-06-21 WO disclosed
EP-1108726-A1 Tensio-active glucoside urethanes Tiense Suikerraffinaderij N.V. (BE) 2001-06-20 EP disclosed
EP-1086197-A1 SURFACE-ACTIVE ALKYLURETHANES OF FRUCTANS Tiense Suikerraffinaderij N.V. (BE) 2001-03-28 EP disclosed
WO-1999064549-A1 SURFACE-ACTIVE ALKYLURETHANES OF FRUCTANS TIENSE SUIKERRAFFINADERIJ N.V. (BE) 1999-12-16 WO disclosed
EP-0964054-A1 Surface-active alkylurethanes of fructans Tiense Suikerraffinaderij N.V. (Raffinerie Tirlemontoise S.A.) (BE) 1999-12-15 EP disclosed