SCHEMBL21779567

SCHEMBL21779567

NC(=O)CC(=O)CCCCCCCCCS

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.48
HDAC3 O15379 13/20 0.41
HDAC1 Q13547 13/20 0.41
HDAC2 Q92769 13/20 0.41
HDAC8 Q9BY41 13/20 0.41
HDAC6 Q9UBN7 13/20 0.41
HDAC10 Q969S8 12/20 0.41
HDAC11 Q96DB2 12/20 0.41
HDAC5 Q9UQL6 11/20 0.40
HDAC4 P56524 10/20 0.40
HDAC7 Q8WUI4 10/20 0.40
HDAC9 Q9UKV0 10/20 0.40
HAO1 Q9UJM8 1/20 0.38
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
SOAT1 P35610 1/20 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
SCHEMBL21779580 1.00 FOLH1 (0.48) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL3622408 0.90 HAO1 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11307892 0.90 HAO1 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4657392 0.87 HAO1 (0.39) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL18151865 0.85 FOLH1 (0.57) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL18151525 0.85 FOLH1 (0.57) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL30293939 0.85 FOLH1 (0.57) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL11592376 0.85 FOLH1 (0.57) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL10384055 0.85 FOLH1 (0.57) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL18151528 0.85 FOLH1 (0.57) FOLH1HDAC3HDAC1HDAC2HDAC8

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
EP-2976076-B1 TRAIL ENHANCERS FOR THE SELECTIVE KILLING OF CANCER CELLS SCRIPPS RESEARCH INST (US) 2020-03-04 EP disclosed