SCHEMBL7740971

SCHEMBL7740971

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 7/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
CA2 P00918 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CPA1 P15085 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 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
SCHEMBL7740968 1.00 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7740371 0.91 MAPT (0.38) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6903026 0.91 NPC1 (0.39) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6304626 0.91 NPC1 (0.39) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7740375 0.91 MAPT (0.38) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6304316 0.89 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6304319 0.89 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7740952 0.87 RAB9A (0.43) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6305362 0.87 RAB9A (0.43) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6305369 0.87 RAB9A (0.43) NPC1RAB9ASMN1; SMN2TP53MAPT

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