SCHEMBL7739419

SCHEMBL7739419

CCOCOCC(CC(CCCc1ccccc1)C(=O)NO)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
TAAR1 Q96RJ0 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MMP2 P08253 5/20 0.41
MMP9 P14780 5/20 0.41
MMP8 P22894 5/20 0.41
MMP1 P03956 4/20 0.41
MMP3 P08254 4/20 0.41
ALDH1A1 P00352 2/20 0.40
USP21 Q9UK80 1/20 0.38
MAPT P10636 3/20 0.38
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
BACE1 P56817 1/20 0.37
HTT P42858 1/20 0.37
MCOLN3 Q8TDD5 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
SCHEMBL7739421 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TP53TAAR1
SCHEMBL7734868 0.90 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53TAAR1
SCHEMBL7734865 0.90 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53TAAR1
SCHEMBL7741362 0.89 HSP90AA1 (0.47) SMN1; SMN2KMT2AMEN1MMP2MMP9
SCHEMBL7741366 0.89 HSP90AA1 (0.47) SMN1; SMN2KMT2AMEN1MMP2MMP9
SCHEMBL7740187 0.88 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53TAAR1
SCHEMBL7740185 0.88 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53TAAR1
SCHEMBL7741142 0.87 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL7741144 0.87 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL6298024 0.86 MAPT (0.41) NPC1RAB9ASMN1; SMN2TP53KMT2A

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