SCHEMBL14435659

SCHEMBL14435659

CCCC(CCC)C(C)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
ALDH1A1 P00352 2/20 0.38
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
PLA2G2C Q5R387 2/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4401773 0.82 TRPV1 (0.44) TRPV1ALDH1A1HDAC7HDAC8HDAC6
SCHEMBL27558794 0.80 SMN1; SMN2 (0.49) ALDH1A1TSHRCYP3A4KDM4ESMN1; SMN2
SCHEMBL13932519 0.76
SCHEMBL8435514 0.76
SCHEMBL8142982 0.76
SCHEMBL14818668 0.76 METAP1 (0.38) TRPV1ALDH1A1HDAC7HDAC8HDAC6
SCHEMBL26658367 0.75 ALDH1A1 (0.33) TRPV1ALDH1A1HDAC7HDAC8HDAC6
SCHEMBL14157901 0.74 TRPV1 (0.46) TRPV1ALDH1A1TDP1NFKB1KDM4E
SCHEMBL20228901 0.74 TRPV1 (0.39) TRPV1ALDH1A1HDAC7HDAC8HDAC6
SCHEMBL10033481 0.73 TAS1R3 (0.50) 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
WO-2007095218-A1 INTRAVENOUS ANTIVIRAL TREATMENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2007-08-23 WO disclosed