SCHEMBL19304566

SCHEMBL19304566

CC(=O)OC(CCCC(C)C)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.45
RNPEP Q9H4A4 2/20 0.45
DNPEP Q9ULA0 2/20 0.45
MMP12 P39900 1/20 0.45
CTSK P43235 5/20 0.44
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 2/20 0.41
ALPI P09923 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL8204879 0.85 CTSK (0.53) MMP12CTSKCTSLCTSBALDH1A1
SCHEMBL27549298 0.84 CTSK (0.52) CTSKCTSLCTSBALDH1A1
SCHEMBL5945552 0.84 CTSK (0.52) CTSKCTSLCTSBALDH1A1
SCHEMBL12378816 0.83 CTSK (0.56) MMP12CTSKCTSLCTSBTSHR
SCHEMBL8811765 0.83 MMP12 (0.48) MMP12CTSKCTSLCTSBTSHR
SCHEMBL2289952 0.83 CTSK (0.56) MMP12CTSKCTSLCTSBTSHR
SCHEMBL11308906 0.82 CTSK (0.51) CTSKCTSLCTSBALDH1A1
SCHEMBL1114427 0.81 CPA3 (0.54) MMP12CTSKALDH1A1PKMALPI
SCHEMBL28444746 0.79 LTA4H (0.43) CTSKTSHR
SCHEMBL15577122 0.79 ACE (0.44) CTSKTSHRPKMLMNA

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-3214168-B1 SACCHAROMYCES CEREVISIAE CAPABLE OF BEING CO-FERMENTED BY MULTIPLE CARBON SOURCES AND APPLICATION THEREOF UNIV JIANGNAN (CN) 2019-08-07 EP claimed
EP-3214168-A1 SACCHAROMYCES CEREVISIAE CAPABLE OF BEING CO-FERMENTED BY MULTIPLE CARBON SOURCES AND APPLICATION THEREOF Jiangnan University (CN) 2017-09-06 EP claimed
EP-3214168-B1 SACCHAROMYCES CEREVISIAE CAPABLE OF BEING CO-FERMENTED BY MULTIPLE CARBON SOURCES AND APPLICATION THEREOF UNIV JIANGNAN (CN) 2019-08-07 EP disclosed
EP-3214168-A1 SACCHAROMYCES CEREVISIAE CAPABLE OF BEING CO-FERMENTED BY MULTIPLE CARBON SOURCES AND APPLICATION THEREOF Jiangnan University (CN) 2017-09-06 EP disclosed