SCHEMBL7433203

SCHEMBL7433203

CCCC(=O)C(=O)NCC(=O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.51
THRB P10828 1/20 0.50
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
PLOD3 O60568 1/20 0.47
PLOD1 Q02809 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
ALDH1A1 P00352 3/20 0.45
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
SARM1 Q6SZW1 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
SIRT4 Q9Y6E7 1/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL9565319 0.83 PLOD2 (0.46) PLOD2THRBHDAC1HDAC8PLOD3
SCHEMBL9316752 0.82 CYP1A2 (0.45) PLOD2HDAC1PLOD3PLOD1HDAC3
SCHEMBL7439167 0.82 PLOD2 (0.50) PLOD2THRBHDAC1HDAC8PLOD3
SCHEMBL7327368 0.81 HDAC1 (0.57) PLOD2THRBHDAC1HDAC8HDAC3
SCHEMBL29350386 0.80 PLOD2 (0.61) PLOD2THRBHDAC1HDAC8PLOD3
SCHEMBL552724 0.80 PLOD2 (0.61) PLOD2THRBHDAC1HDAC8PLOD3
SCHEMBL23014378 0.80 PLOD2 (0.57) PLOD2THRBHDAC1HDAC8PLOD3
SCHEMBL7443990 0.80 PLOD2 (0.57) PLOD2THRBPLOD3PLOD1ALDH1A1
SCHEMBL5113226 0.80 ALDH1A1 (0.52) PLOD2THRBPLOD3PLOD1ALDH1A1
SCHEMBL7436954 0.79 PLOD2 (0.53) PLOD2THRBHDAC1HDAC8PLOD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5278161-A Racemic mixtures HOFFMANN-LA ROCHE INC. (US) 1994-01-11 US disclosed
US-5091425-A Inhibitors of the catalytic action of renin IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-25 US disclosed
EP-0464572-A2 Aminoacid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-01-08 EP disclosed