SCHEMBL6694352

SCHEMBL6694352

CC(C)NCC(=O)O.CON(OC)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LTA4H P09960 2/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL3248704 0.86 CYP1A2 (0.50) NPC1RAB9AMEN1KMT2A
SCHEMBL472008 0.86 CYP1A2 (0.50) NPC1RAB9AMEN1KMT2A
SCHEMBL27516881 0.77 ATM (0.49) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL7452871 0.74 CYP1A2 (0.47) ACENPC1RAB9A
SCHEMBL7452874 0.74 CYP1A2 (0.47) ACENPC1RAB9A
Tyrosine SCHEMBL2672368 0.73 SLC7A5 (0.61)
SCHEMBL8986800 0.72 NPC1 (0.62) NPC1RAB9A
SCHEMBL8986798 0.72 NPC1 (0.62) NPC1RAB9A
Hydrochloric Acid SCHEMBL11798527 0.70 NPC1 (0.61) NPC1RAB9A
Hydrochloric Acid SCHEMBL11798523 0.70 NPC1 (0.61) NPC1RAB9A

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
EP-3116538-A1 RESPIRATORY SYNCYTIAL VIRUS (RSV) REPLICATION INHIBITORS Fondation The Ark (CH) 2017-01-18 EP disclosed
WO-2017004672-A1 PEPTIDYL TPOR ANTAGONISTS AND USES THEREOF POLYMERS CRC LIMITED (AU) 2017-01-12 WO disclosed
WO-2015135925-A1 RESPIRATORY SYNCYTIAL VIRUS (RSV) REPLICATION INHIBITORS FONDATION THE ARK (CH) 2015-09-17 WO disclosed
WO-2004099238-A1 NOVEL mu-CONOTOXIN PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2004-11-18 WO disclosed