SCHEMBL8947742

SCHEMBL8947742

CCOC(=O)CCN(C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C=NNC(=O)OCC)C1)NS(=O)(=O)c1ccccc1C(=O)O)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.41
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8947542 0.96 F2 (0.40) F2ALDH1A1
SCHEMBL7306645 0.95 F2 (0.41) F2ALDH1A1LMNA
SCHEMBL8947624 0.93 F2 (0.44) F2ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL8947651 0.88 F2 (0.44) F2ALDH1A1LMNA
SCHEMBL7307422 0.87 F2 (0.55) F2
SCHEMBL7293781 0.87 F2 (0.46) F2ALDH1A1L3MBTL1
SCHEMBL7295658 0.83 F2 (0.46) F2ALDH1A1
SCHEMBL8947587 0.83 F2 (0.46) F2ALDH1A1RAB9A
SCHEMBL8947782 0.82 F2 (0.35) F2ALDH1A1
Hydrochloric Acid SCHEMBL7295386 0.80 F2 (0.41) F2ALDH1A1

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-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed