SCHEMBL27337368

SCHEMBL27337368

CC(O)(CCCc1ncc[nH]1)C(=O)NC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
AMPD3 Q01432 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
EPHX1 P07099 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL7876928 0.75 NPC1 (0.44) KMT2ASMN1; SMN2
SCHEMBL30578654 0.69 TBXAS1 (0.44) TBXAS1
SCHEMBL12391771 0.68 TBXAS1 (0.49) TBXAS1ALDH1A1SMN1; SMN2
SCHEMBL4847586 0.66 FPR2 (0.40)
SCHEMBL8068830 0.66 TERT (0.42) TBXAS1
SCHEMBL3682800 0.65 SMN1; SMN2 (0.56) L3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL24306044 0.64 TBXAS1 (0.50) TBXAS1
SCHEMBL1414204 0.64 TAAR1 (0.44) ALDH1A1KMT2A
SCHEMBL16133628 0.64 TERT (0.49) TBXAS1ALDH1A1
SCHEMBL11290843 0.64 TBXAS1 (0.34) TBXAS1

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
CN-1047085-A The dipeptides of renin-inhibiting, its preparation method contains the medicament and the application thereof of these dipeptides HOECHST AG (DE) 1990-11-21 CN disclosed