SCHEMBL7734828

SCHEMBL7734828

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 8/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
CA2 P00918 1/20 0.41
ALOX12 P18054 1/20 0.40
LMNA P02545 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL7734825 1.00 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL7740998 0.90 MMP2 (0.47) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL7740992 0.90 MMP2 (0.47) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6304319 0.88 NPC1 (0.44) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6304316 0.88 NPC1 (0.44) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6305369 0.87 RAB9A (0.43) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6305362 0.87 RAB9A (0.43) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL7740952 0.87 RAB9A (0.43) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL7742544 0.84 HPGD (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL7740937 0.84 HTT (0.52) SMN1; SMN2MAPTALDH1A1KDM4EGAA

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