SCHEMBL7434878

SCHEMBL7434878

CC(C)(C)OC(=O)CN[C@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.61
CTSL P07711 2/20 0.58
CTSS P25774 1/20 0.58
CTSK P43235 1/20 0.58
ALOX15 P16050 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ITGB2 P05107 2/20 0.54
ICAM1 P05362 2/20 0.54
ITGAL P20701 2/20 0.54
MAPT P10636 2/20 0.54
TACR1 P25103 2/20 0.54
KDM4E B2RXH2 1/20 0.54
APAF1 O14727 1/20 0.54
POLB P06746 1/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.53
ECE1 P42892 3/20 0.53

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
SCHEMBL8553442 1.00 ACE (0.61) ACECTSLCTSSCTSKALOX15
SCHEMBL6430686 0.91 TACR1 (0.56) ACECTSLCTSSCTSKALOX15
SCHEMBL7430608 0.90 TACR1 (0.58) ACECTSLCTSSCTSKMEN1
SCHEMBL7430601 0.90 TACR1 (0.58) ACECTSLCTSSCTSKMEN1
SCHEMBL1003555 0.84 ACE (0.77) ACECTSLCTSSCTSKALOX15
SCHEMBL850438 0.84 ACE (0.77) ACECTSLCTSSCTSKALOX15
SCHEMBL29367687 0.84 ACE (0.77) ACECTSLCTSSCTSKALOX15
SCHEMBL30976323 0.84 ACE (0.77) ACECTSLCTSSCTSKALOX15
SCHEMBL1486167 0.84 ACE (0.77) ACECTSLCTSSCTSKALOX15
SCHEMBL7433229 0.84 PKM (0.56) ACECTSLCTSSCTSKMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6066633-A PREVENT TISSUE DEGRADATION ADIR ET COMPAGNIE (FR) 2000-05-23 US disclosed