SCHEMBL7740187

SCHEMBL7740187

CCOCOC[C@H](C[C@H](COCc1ccccc1)C(=O)NO)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
USP21 Q9UK80 1/20 0.39
BACE1 P56817 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CNR1 P21554 1/20 0.38
CTSS P25774 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CTSB P07858 1/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP12 P39900 2/20 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
SCHEMBL7740185 1.00 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7741112 0.92 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7741115 0.92 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7734868 0.91 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7734865 0.91 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6298026 0.91 MAPT (0.41) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6298024 0.91 MAPT (0.41) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7742547 0.88 NPC1 (0.36) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7742539 0.88 NPC1 (0.36) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7740365 0.88 KMT2A (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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