SCHEMBL7520216

SCHEMBL7520216

CC(=O)NC(N)CCCCCBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.40
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
ASAH1 Q13510 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
PLA2G2C Q5R387 1/20 0.33
PLA2G2A P14555 1/20 0.32
NOS2 P35228 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 2/20 0.31
HIF1A Q16665 1/20 0.31
ZDHHC7 Q9NXF8 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PAOX Q6QHF9 2/20 0.31
MAPT P10636 2/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 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
SCHEMBL3157490 0.92 TRPV1 (0.34) TRPV1SIRT6SIRT1ASAH1CHRM2
SCHEMBL7801151 0.82 SIRT6 (0.50) TRPV1SIRT6SIRT1PAOX
SCHEMBL17213387 0.80 SIRT6 (0.47) SIRT6SIRT1PLA2G2CPLA2G2ATP53
SCHEMBL12478006 0.78 PLA2G2C (0.46) SIRT6SIRT1PLA2G2C
SCHEMBL29194376 0.77 FFAR1 (0.51) SIRT6SIRT1PLA2G2CNFKB1
SCHEMBL12594196 0.76 SMN1; SMN2 (0.50) TRPV1SIRT6SIRT1CHRM2CHRM4
Benzene SCHEMBL9177693 0.74 SIRT6 (0.43) SIRT6SIRT1PLA2G2CPLA2G2AALDH1A1
SCHEMBL7085362 0.73
SCHEMBL12594194 0.70 KMT2A (0.48) TRPV1SIRT6SIRT1CHRM2CHRM4
SCHEMBL28663197 0.69 MTNR1A (0.41) ALDH1A1

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-0786087-B1 POLYPEPTIDE-DENDRIMER COMPLEXES DADE BEHRING INC (US) 2002-02-27 EP disclosed
US-6083708-A BRANCHING COMPOUND WITH AT LEAST TWO TERMINI, EACH OF WHICH HAS PREFERENTIAL ENZYME ACTIVITY DADE BEHRING INC. (US) 2000-07-04 US disclosed
EP-0786087-A1 POLYPEPTIDE-DENDRIMER COMPLEXES DADE INTERNATIONAL INC. (US) 1997-07-30 EP disclosed
WO-1997007398-A1 POLYPEPTIDE-DENDRIMER COMPLEXES DADE INTERNATIONAL INC. (US) 1997-02-27 WO disclosed