SCHEMBL9580377

SCHEMBL9580377

CC1(C)CC(N(N)C(=O)C(=O)NCCCCCCNC(=O)C(=O)N(N)C2CC(C)(C)N(C(=O)c3ccccc3)C(C)(C)C2)CC(C)(C)N1C(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
NAAA Q02083 1/20 0.37
NAMPT P43490 3/20 0.35
MAPK1 P28482 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC9 Q9UKV0 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
SCHEMBL9580305 0.83 GAA (0.37) CYP3A4GAANAMPT
SCHEMBL9823262 0.81 TSHR (0.38) CYP3A4TSHRLMNAGAAMAPK1
SCHEMBL9200819 0.72 GAA (0.37) TSHRLMNAGAASMN1; SMN2HPGD
SCHEMBL9003125 0.70 ACHE (0.42) CYP3A4TSHRGAAMAPK1ALDH1A1
SCHEMBL27839363 0.67 TSHR (0.48) CYP3A4TSHRLMNAGAANAAA
SCHEMBL9823273 0.67 TSHR (0.38) CYP3A4TSHRLMNAMAPK1ALDH1A1
SCHEMBL9002978 0.67 EZH2 (0.40) CYP3A4TSHRGAASMN1; SMN2
SCHEMBL9300565 0.66 LMNA (0.37) CYP3A4TSHRLMNAGAAMAPK1
SCHEMBL9307823 0.65 TSHR (0.49) CYP3A4TSHRLMNAGAAMAPK1
SCHEMBL27839365 0.65 HDAC3 (0.40) CYP3A4TSHRLMNAGAAHDAC1

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
US-5213897-A Curable coating compositions containing an N-(2,2,6,6-tetraalkyl-4-piperidinyl)amic acid hydrazide ELF ATOCHEM NORTH AMERICA, INC. 1993-05-25 US disclosed