SCHEMBL6848366

SCHEMBL6848366

CCC[C@H](NC)C(=O)NCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 4/20 0.33

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
SCHEMBL13958540 1.00 HDAC7 (0.40) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL25719293 0.82 HDAC7 (0.43) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL13227770 0.82 HDAC7 (0.43) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL18293012 0.82 FOLH1 (0.47)
SCHEMBL22175192 0.82 TDP1 (0.47) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL12766447 0.82 HDAC7 (0.36) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL22622376 0.80 HDAC7 (0.35) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL13400809 0.80 SIRT6 (0.44) DPP7SIRT6SIRT1CA1CA2
SCHEMBL22330612 0.80 KISS1R (0.43) CTSSCTSKHTR2AHRH1TSHR
SCHEMBL13679232 0.80 DPP7 (0.36) HDAC7HDAC8HDAC6HDAC9HDAC5

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-6777535-B1 USEFUL FOR TREATING CONDITIONS WHICH ARISE OR ARE EXACERBATED BY ANGIOGENESIS ABBOTT LABORATORIES 2004-08-17 US disclosed