SCHEMBL7741144

SCHEMBL7741144

CCOCOC[C@H](C[C@H](CCOc1ccccc1)C(=O)NO)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP2 P08253 4/20 0.40
MMP9 P14780 4/20 0.40
MMP12 P39900 4/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 6/20 0.39
USP21 Q9UK80 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 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
SCHEMBL7741142 1.00 NPC1 (0.43) NPC1TP53RAB9ASMN1; SMN2MMP2
SCHEMBL7740189 0.91 MEN1 (0.44) NPC1TP53RAB9ASMN1; SMN2MEN1
SCHEMBL7740193 0.91 MEN1 (0.44) NPC1TP53RAB9ASMN1; SMN2MEN1
SCHEMBL7739421 0.87 NPC1 (0.45) NPC1TP53RAB9ASMN1; SMN2MMP2
SCHEMBL7739419 0.87 NPC1 (0.45) NPC1TP53RAB9ASMN1; SMN2MMP2
SCHEMBL7734868 0.86 NPC1 (0.53) NPC1TP53RAB9ASMN1; SMN2MEN1
SCHEMBL7734865 0.86 NPC1 (0.53) NPC1TP53RAB9ASMN1; SMN2MEN1
SCHEMBL7740508 0.86 USP21 (0.40) NPC1TP53RAB9ASMN1; SMN2MEN1
SCHEMBL6298324 0.86 USP21 (0.40) NPC1TP53RAB9ASMN1; SMN2MEN1
SCHEMBL6298320 0.86 USP21 (0.40) NPC1TP53RAB9ASMN1; SMN2MEN1

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