SCHEMBL18936719

SCHEMBL18936719

NCCCCC(=O)CC(=O)S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.50
CYP2D6 P10635 1/20 0.50
BLM P54132 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 2/20 0.48
THRB P10828 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PLG P00747 1/20 0.48
ALOX15 P16050 1/20 0.48
SLC6A2 P23975 1/20 0.48
RECQL P46063 1/20 0.48
SLC6A3 Q01959 1/20 0.48
PAOX Q6QHF9 4/20 0.46
HDAC6 Q9UBN7 2/20 0.40
GABRR3 A8MPY1 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL18936718 0.84
SCHEMBL14507056 0.81
SCHEMBL284865 0.80 NFKB1 (0.64) NFKB1CYP2D6BLMNPSR1LMNA
SCHEMBL8388119 0.79 LMNA (0.59) NFKB1CYP2D6BLMNPSR1LMNA
SCHEMBL8390563 0.79
SCHEMBL5193962 0.78 LMNA (0.65) NFKB1CYP2D6BLMNPSR1LMNA
SCHEMBL152548 0.78 LMNA (0.65) NFKB1CYP2D6BLMNPSR1LMNA
SCHEMBL28821576 0.78 LMNA (0.65) NFKB1CYP2D6BLMNPSR1LMNA
SCHEMBL24812024 0.78 LMNA (0.52) NFKB1CYP2D6BLMNPSR1LMNA
SCHEMBL18342688 0.78 LMNA (0.65) NFKB1CYP2D6BLMNPSR1LMNA

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-20170159082-A1 METHODS AND MATERIALS FOR PRODUCING 7-CARBON MONOMERS INVISTA NORTH AMERICA S.A.R.L. (US) 2017-06-08 US disclosed