SCHEMBL20053224

SCHEMBL20053224

CC(C)OC(=O)C1CCCN1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSH P09668 2/20 0.40
CTSK P43235 2/20 0.40
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.34
ACE P12821 6/20 0.34
REN P00797 3/20 0.34
KDM4E B2RXH2 1/20 0.34
F2 P00734 1/20 0.34
LMNA P02545 1/20 0.34
LTA4H P09960 1/20 0.34
MAPT P10636 1/20 0.34
PEPD P12955 1/20 0.34
ALOX15 P16050 1/20 0.34
PTGS1 P23219 1/20 0.34
HTR2A P28223 1/20 0.34
PTGS2 P35354 1/20 0.34
HRH1 P35367 1/20 0.34
THPO P40225 1/20 0.34

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
SCHEMBL26723980 1.00 CTSL (0.40) CTSLCTSBCTSHCTSKRAB9A
SCHEMBL25873103 1.00 CTSL (0.40) CTSLCTSBCTSHCTSKRAB9A
SCHEMBL26030704 0.95 CTSL (0.39) CTSLCTSBCTSHCTSKRAB9A
SCHEMBL13910188 0.84 TSHR (0.46) RAB9ATSHRPEPDPOLB
SCHEMBL1684095 0.84 TSHR (0.46) RAB9ATSHRPEPDPOLB
SCHEMBL278662 0.84 TSHR (0.46) RAB9ATSHRPEPDPOLB
SCHEMBL24283107 0.82 RAB9A (0.36) CTSLCTSBCTSHCTSKRAB9A
SCHEMBL26727435 0.80 CTSL (0.40) CTSLCTSBCTSHCTSKRAB9A
SCHEMBL25873736 0.80 CTSL (0.40) CTSLCTSBCTSHCTSKRAB9A
SCHEMBL4638246 0.79 FKBP1A (0.46) RAB9ATSHRKDM4EMAPTL3MBTL1

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-9943609-B2 Protein-polymer-drug conjugates MERSANA THERAPEUTICS, INC. (US) 2018-04-17 US disclosed