SCHEMBL6709378

SCHEMBL6709378

CC(CC(=O)O)CC(=O)NCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
TP53 P04637 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL19919908 0.87 TSHR (0.55) TSHRPOLBTDP1SMN1; SMN2HSD17B10
SCHEMBL20903627 0.87 TSHR (0.55) TSHRPOLBTDP1SMN1; SMN2HSD17B10
SCHEMBL6712789 0.86 TDP1 (0.53) TSHRPOLBTDP1SMN1; SMN2HSD17B10
SCHEMBL19051607 0.85 TP53 (0.53) TSHRPOLBSMN1; SMN2TP53BCHE
SCHEMBL6960913 0.85 SMN1; SMN2 (0.64) TSHRPOLBTDP1SMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL7427148 0.84 SMN1; SMN2 (0.62) TSHRPOLBTDP1SMN1; SMN2KMT2A
SCHEMBL1723877 0.83 TSHR (0.51) TSHRPOLBTDP1SMN1; SMN2KMT2A
SCHEMBL18381265 0.82 HTT (0.46) POLBTDP1SMN1; SMN2TP53
SCHEMBL10602511 0.81 TSHR (0.49) TSHRPOLBTDP1SMN1; SMN2KMT2A
SCHEMBL7366845 0.80 TSHR (0.50) TSHRPOLBTDP1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed