SCHEMBL4068546

SCHEMBL4068546

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
CCKBR P32239 7/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
MPO P05164 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
KMT2A Q03164 1/20 0.55
HIF1A Q16665 1/20 0.55
MMP2 P08253 2/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP1 P03956 1/20 0.52
TACR1 P25103 2/20 0.52
ACE P12821 3/20 0.52

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
SCHEMBL4842487 0.87 TACR1 (0.56) CTSLCTSSCTSKCCKBRMAPT
SCHEMBL9331123 0.87 MAPT (0.55) CTSLCTSSCTSKMAPTKDM4E
SCHEMBL29571655 0.86 KDM4E (0.67) MAPTKDM4EMEN1LMNAMPO
SCHEMBL21641794 0.86 KDM4E (0.67) MAPTKDM4EMEN1LMNAMPO
SCHEMBL31074794 0.86 KDM4E (0.67) MAPTKDM4EMEN1LMNAMPO
SCHEMBL10434701 0.86 KDM4E (0.67) MAPTKDM4EMEN1LMNAMPO
SCHEMBL7824245 0.86 KDM4E (0.67) MAPTKDM4EMEN1LMNAMPO
SCHEMBL27871958 0.85 ERAP1 (0.60) MAPTKDM4EMEN1LMNAMPO
SCHEMBL16463539 0.85 TACR1 (0.60) CTSLCTSSCTSKMAPTTACR1
SCHEMBL16463542 0.85 TACR1 (0.60) CTSLCTSSCTSKMAPTTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309336-B1 DERIVATIVES OF LASPARTOMYCIN AND PREPARATION AND USE THEREOF BIOSOURCE PHARM INC (US) 2009-05-06 EP disclosed
US-6737403-B2 CULTURING MICROORGANISM STREPTOMYCES VIRIDOCHROMOGENES, SSP. KOMABENSIS (ATCC 29814) IN CULTURE MEDIUM, ISOLATING LASPARTOMYCIN, CLEAVING LIPOPHILIC FRAGMENT FROM LASPARTOMYCIN, THEREBY YIELDING LASPARTOMYCIN CORE PEPTIDE MICROLOGIX BIOTECH INC. (CA) 2004-05-18 US disclosed