SCHEMBL9565319

SCHEMBL9565319

CSCCCC(=O)C(=O)NCC(=O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
THRB P10828 1/20 0.45
PLOD3 O60568 1/20 0.42
PLOD1 Q02809 1/20 0.42
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.41
TBXAS1 P24557 3/20 0.40
RAB9A P51151 3/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
SARM1 Q6SZW1 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 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
SCHEMBL7433203 0.83 PLOD2 (0.51) PLOD2HDAC1HDAC8THRBPLOD3
SCHEMBL7443990 0.77 PLOD2 (0.57) PLOD2THRBPLOD3PLOD1ALDH1A1
SCHEMBL7439167 0.77 PLOD2 (0.50) PLOD2HDAC1HDAC8THRBPLOD3
SCHEMBL7436954 0.74 PLOD2 (0.53) PLOD2HDAC1HDAC8THRBPLOD3
SCHEMBL27374976 0.73 PLOD2 (0.49) PLOD2HDAC1HDAC8THRBPLOD3
SCHEMBL7327368 0.73 HDAC1 (0.57) PLOD2HDAC1HDAC8THRBALDH1A1
SCHEMBL16404277 0.73 PLOD2 (0.51) PLOD2HDAC1HDAC8THRBPLOD3
SCHEMBL15973481 0.72 PLOD2 (0.67) PLOD2HDAC1HDAC8THRBPLOD3
SCHEMBL5113226 0.72 ALDH1A1 (0.52) PLOD2THRBPLOD3PLOD1ALDH1A1
SCHEMBL23014378 0.72 PLOD2 (0.57) PLOD2HDAC1HDAC8THRBPLOD3

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-0543245-A1 Renin inhibiting amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-05-26 EP disclosed