SCHEMBL9868632

SCHEMBL9868632

CC(C)C[C@H](N)[C@@H](O)CC(=O)NCCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.45
MMP9 P14780 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
REN P00797 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
MMP1 P03956 1/20 0.41

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
SCHEMBL9868641 1.00 MMP3 (0.45) MMP3MMP9POLBTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL10721115 0.99 TSHR (0.47) MMP3MMP9POLBTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL10721121 0.99 TSHR (0.47) MMP3MMP9POLBTSHRSMN1; SMN2
SCHEMBL6960913 0.82 SMN1; SMN2 (0.64) POLBTSHRSMN1; SMN2TP53TDP1
Hydrochloric Acid SCHEMBL7427148 0.81 SMN1; SMN2 (0.62) POLBTSHRSMN1; SMN2TP53TDP1
SCHEMBL7327060 0.79 ALDH1A1 (0.50) MMP3ALDH1A1RENMMP1
SCHEMBL14415361 0.79 ALDH1A1 (0.50) MMP3ALDH1A1RENMMP1
SCHEMBL9869819 0.79 ALDH1A1 (0.50) MMP3ALDH1A1RENMMP1
SCHEMBL12310327 0.79 TSHR (0.58) MMP3MMP9TSHRSMN1; SMN2TDP1
SCHEMBL7277453 0.79 TSHR (0.58) MMP3MMP9TSHRSMN1; SMN2TDP1

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
US-5061808-A 2-oxo-1-pyrrolidine carboxylic acid esters WARNER-LAMBERT COMPANY (US) 1991-10-29 US disclosed
US-4876343-A Process for statine and statine analogs WARNER-LAMBERT COMPANY (US) 1989-10-24 US disclosed