SCHEMBL14027140

SCHEMBL14027140

CCNC(Cc1ccccc1)C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
PAM P19021 1/20 0.48
ATM Q13315 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.46

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
SCHEMBL21263555 0.92 MME (0.52) SIGMAR1MMEACECPA1ACE2
SCHEMBL23306933 0.92 MME (0.52) SIGMAR1MMEACECPA1ACE2
SCHEMBL27268141 0.89 HDAC3 (0.51) SIGMAR1ALDH1A1POLBCTSSCTSK
SCHEMBL30699914 0.88 SIGMAR1 (0.53) SIGMAR1POLBATMNPC1RAB9A
SCHEMBL989835 0.88 SIGMAR1 (0.53) SIGMAR1POLBATMNPC1RAB9A
SCHEMBL4672507 0.88 SIGMAR1 (0.53) SIGMAR1POLBATMNPC1RAB9A
SCHEMBL22630552 0.88 PPARG (0.46) SIGMAR1ALDH1A1RAB9A
SCHEMBL22106249 0.88 PPARG (0.46) SIGMAR1ALDH1A1RAB9A
SCHEMBL7271174 0.87 SIGMAR1 (0.56) SIGMAR1NAALAD2MMEACECPA1
SCHEMBL839840 0.87 SIGMAR1 (0.56) SIGMAR1NAALAD2MMEACECPA1

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-7449544-B2 p21 peptides CYCLACEL LIMITED (GB) 2008-11-11 US disclosed