SCHEMBL7995036

SCHEMBL7995036

CC1CN(C(=O)O)CCN(C(=O)O)CCN1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.38
CPS1 P31327 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PDK1 Q15118 2/20 0.34
PDK2 Q15119 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GHSR Q92847 1/20 0.33

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
SCHEMBL4150920 1.00 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL17061934 0.98 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL21354258 0.98 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL17061936 0.98 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL25215811 0.86 GAA (0.38) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL27970559 0.86 CYP1A2 (0.40) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL18152255 0.86 CYP1A2 (0.40) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL6742645 0.86 TSHR (0.33) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL2060839 0.86 CHRNB2 (0.38) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL28915023 0.84 TSHR (0.39) TSHRLMNAALOX15HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113939740-A Compositions and reagents for ion beam imaging 离子路径公司 2022-01-14 CN claimed
US-20200215198-A1 COMPOSITIONS AND REAGENTS FOR ION BEAM IMAGING OREGON PHYSICS LLC 2020-07-09 US claimed
CN-113939740-A Compositions and reagents for ion beam imaging 离子路径公司 2022-01-14 CN disclosed
US-20200215198-A1 COMPOSITIONS AND REAGENTS FOR ION BEAM IMAGING OREGON PHYSICS LLC 2020-07-09 US disclosed
US-6288224-B1 Preparation of n-arylmethyl aziridine derivatives, 1,4,7,10-tetraazacyclododecane derivatives obtained therefrom and n-arylethyl-ethanolamine sulphonate esters as intermediates NYCOMED SALUTAR, INC. 2001-09-11 US disclosed
US-6048979-A CYCLOTETRAMERIZING, CLEAVAGE OF ARYLMETHYL GROUPS TO PREPARE CYCLEN AND DERIVATIVES NYCOMED SALUTAR, INC. (US) 2000-04-11 US disclosed
EP-0813523-A2 PREPARATION OF N-ARYLMETHYL AZIRIDINE DERIVATIVES, 1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES OBTAINED THEREFROM AND N-ARYLMETHYL-ETHANOL-AMINE SULPHONATE ESTERS AS INTERMEDIATES NYCOMED SALUTAR, INC. (US) 1997-12-29 EP disclosed
WO-1996028420-A2 PREPARATION OF N-ARYLMETHYL AZIRIDINE DERIVATIVES, 1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES OBTAINED THEREFROM AND N-ARYLMETHYL-ETHANOL-AMINE SULPHONATE ESTERS AS INTERMEDIATES NYCOMED SALUTAR, INC. (US) 1996-09-19 WO disclosed