SCHEMBL7739573

SCHEMBL7739573

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
TP53 P04637 1/20 0.41
USP21 Q9UK80 1/20 0.40
MAPT P10636 8/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8117713 1.00 RAB9A (0.41) RAB9ASMN1; SMN2NPC1TP53USP21
SCHEMBL7739565 1.00 RAB9A (0.41) RAB9ASMN1; SMN2NPC1TP53USP21
SCHEMBL6305369 0.95 RAB9A (0.43) RAB9ASMN1; SMN2NPC1TP53USP21
SCHEMBL6305362 0.95 RAB9A (0.43) RAB9ASMN1; SMN2NPC1TP53USP21
SCHEMBL7740952 0.95 RAB9A (0.43) RAB9ASMN1; SMN2NPC1TP53USP21
SCHEMBL6304319 0.93 NPC1 (0.44) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL6304316 0.93 NPC1 (0.44) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL7740628 0.91 USP21 (0.39) RAB9ASMN1; SMN2NPC1TP53USP21
SCHEMBL7740631 0.91 USP21 (0.39) RAB9ASMN1; SMN2NPC1TP53USP21
SCHEMBL7743871 0.87 HPGD (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A

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