SCHEMBL5570701

SCHEMBL5570701

CC(O)C(N)c1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
LMNA P02545 3/20 0.35
HIF1A Q16665 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
ALDH1A1 P00352 1/20 0.34
DPP4 P27487 2/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
RECQL P46063 4/20 0.31
TDP1 Q9NUW8 4/20 0.31
MAPT P10636 3/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
MTOR P42345 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL27509074 0.81 DPP4 (0.36) DPP4
SCHEMBL28040600 0.78 NOS3 (0.39) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL11539994 0.76 KDM4E (0.38) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL14440005 0.76 DPP4 (0.62) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL16847208 0.76 DPP4 (0.62) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL1335056 0.76 DPP4 (0.62) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL516556 0.76 DPP4 (0.62) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL3762114 0.76 ESR1 (0.33)
SCHEMBL8651376 0.76 DPP4 (0.62) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL2196928 0.76 DPP4 (0.62) KDM4ELMNAHIF1AADRA2AADRA2C

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
US-8277749-B2 Time-temperature indicator based on valence isomerizations FRESHPOINT HOLDINGS S.A. (CH) 2012-10-02 US disclosed
US-20070172951-A1 Time-temperature indicator based on valence isomerizations FRESHPOINT QUALITY ASSURANCE LTD. (IL) 2007-07-26 US disclosed