SCHEMBL7740952

SCHEMBL7740952

CCOCOC[C@H](C[C@H](COC)C(=O)O)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
TP53 P04637 1/20 0.43
USP21 Q9UK80 1/20 0.41
MAPT P10636 8/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6305362 1.00 RAB9A (0.43) RAB9ASMN1; SMN2NPC1TP53USP21
SCHEMBL6305369 1.00 RAB9A (0.43) RAB9ASMN1; SMN2NPC1TP53USP21
SCHEMBL7739573 0.95 RAB9A (0.41) RAB9ASMN1; SMN2NPC1TP53USP21
SCHEMBL7739565 0.95 RAB9A (0.41) RAB9ASMN1; SMN2NPC1TP53USP21
SCHEMBL8117713 0.95 RAB9A (0.41) RAB9ASMN1; SMN2NPC1TP53USP21
SCHEMBL6304316 0.94 NPC1 (0.44) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL6304319 0.94 NPC1 (0.44) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL7740508 0.90 USP21 (0.40) RAB9ASMN1; SMN2NPC1TP53USP21
SCHEMBL6298320 0.90 USP21 (0.40) RAB9ASMN1; SMN2NPC1TP53USP21
SCHEMBL6298324 0.90 USP21 (0.40) RAB9ASMN1; SMN2NPC1TP53USP21

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