SCHEMBL8562011

SCHEMBL8562011

N[C@H]1CC(=O)OCCOC1=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CA1 P00915 1/20 0.32
CA9 Q16790 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
SCHEMBL9715081 1.00 ALDH1A1 (0.33) ALDH1A1LMNATP53TSHRCYP1A2
SCHEMBL29285255 0.81 CYP1A2 (0.33) CYP1A2
Aspartic Acid SCHEMBL735961 0.78 GRIK1 (0.33)
SCHEMBL14159674 0.77 BLM (0.31) LMNATSHR
SCHEMBL3661549 0.77 ALDH1A1 (0.42) ALDH1A1LMNATP53TSHRCA1
SCHEMBL14159808 0.74
SCHEMBL14284271 0.74 SMN1; SMN2 (0.33)
SCHEMBL1484120 0.72
SCHEMBL731550 0.72 TSHR (0.32) ALDH1A1LMNATP53TSHR
Homoserine Lactone SCHEMBL79968 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894329-B Synthesis method of indole derivative containing 2-thiocyano-3-aryl by axial chirality 泽升科技(广州)有限公司 2023-08-18 CN disclosed
EP-0796842-A3 Ethylene aspartate cysteate sequestrants, methods of producing them and detergent compositions containing them UNILEVER PLC (GB) 1998-05-06 EP disclosed
US-5739093-A DETERGENT CONTAINING ETHYLENE APARTIC GLUTAMIC ACID OR SALT THEREOF; IMPROVED STAIN REMOVAL LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1998-04-14 US disclosed
US-5739093-A DETERGENT CONTAINING ETHYLENE APARTIC GLUTAMIC ACID OR SALT THEREOF; IMPROVED STAIN REMOVAL LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1998-04-14 US disclosed
US-5739093-A DETERGENT CONTAINING ETHYLENE APARTIC GLUTAMIC ACID OR SALT THEREOF; IMPROVED STAIN REMOVAL LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1998-04-14 US disclosed
US-5688996-A DETERGENTS OR BUILDERS LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1997-11-18 US disclosed
EP-0796842-A2 Ethylene aspartate cysteate sequestrants, methods of producing them and detergent compositions containing them UNILEVER PLC (GB) 1997-09-24 EP disclosed
EP-0796842-A2 Ethylene aspartate cysteate sequestrants, methods of producing them and detergent compositions containing them UNILEVER PLC (GB) 1997-09-24 EP disclosed
US-5668098-A Detergent compositions containing ethylene aspartate cysteate (EAC) sequestrants LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1997-09-16 US disclosed
US-5668098-A Detergent compositions containing ethylene aspartate cysteate (EAC) sequestrants LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1997-09-16 US disclosed
US-5668098-A Detergent compositions containing ethylene aspartate cysteate (EAC) sequestrants LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1997-09-16 US disclosed