SCHEMBL7742547

SCHEMBL7742547

CCOCOC[C@H](C[C@H](COCc1ccsc1)C(=O)NO)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 4/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
BACE1 P56817 2/20 0.34
USP21 Q9UK80 1/20 0.34
LMNA P02545 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL7742539 1.00 NPC1 (0.36) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL6305224 0.92 NPC1 (0.39) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL6305228 0.92 NPC1 (0.39) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL7740185 0.88 NPC1 (0.46) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL7740187 0.88 NPC1 (0.46) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL6298026 0.88 MAPT (0.41) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL6298024 0.88 MAPT (0.41) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL6304892 0.85 NPC1 (0.42) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL6304889 0.85 NPC1 (0.42) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL7740508 0.84 USP21 (0.40) NPC1RAB9ATP53SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP claimed
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed