SCHEMBL21369747

SCHEMBL21369747

Cc1ccc(NCCCCS(=O)(=O)O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GUCY1A1 Q02108 1/20 0.46
GUCY1B1 Q02153 1/20 0.46
MAPT P10636 1/20 0.43
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL18747679 0.90 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL10126545 0.88 GUCY1A1 (0.59) SMN1; SMN2ALDH1A1HTTGUCY1A1GUCY1B1
SCHEMBL5313590 0.88 KIF11 (0.38) SMN1; SMN2ALDH1A1HTTGUCY1A1GUCY1B1
SCHEMBL30575017 0.85 KMT2A (0.42) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL5314740 0.84 KIF11 (0.38) SMN1; SMN2ALDH1A1HTTGUCY1A1GUCY1B1
SCHEMBL30575034 0.82 KMT2A (0.42) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL10453656 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL11331958 0.78 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL5314416 0.78 KIF11 (0.39) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL9852005 0.78 MAPT (0.58) ALDH1A1HTTMEN1KMT2AMAPT

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-2019177426-A1 COMPOUND, COLORED RESIN COMPOSITION, COLOR FILTER AND DISPLAY DEVICE 동우 화인켐 주식회사 2019-09-19 WO disclosed