SCHEMBL9429295

SCHEMBL9429295

CCCC(Nc1nc(NCCCCCC(=O)O)nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.32
IDH1 O75874 1/20 0.32
HDAC1 Q13547 4/20 0.31
EHMT1 Q9H9B1 4/20 0.31
HDAC6 Q9UBN7 4/20 0.31
PPARA Q07869 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A3 Q01959 1/20 0.31
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 3/20 0.31
SIRT5 Q9NXA8 1/20 0.31
POLB P06746 2/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9428950 0.90 PPARA (0.34) SCDPPARAFLT3TYRO3MERTK
SCHEMBL9429379 0.88 KMT2A (0.41) EHMT1KMT2AALDH1A1MAPK1
SCHEMBL9427998 0.88 FFAR4 (0.32) FLT3TYRO3MERTKGAS6SIRT5
SCHEMBL9428391 0.86 KMT2A (0.41) EHMT1KMT2AALDH1A1
SCHEMBL9428508 0.86 CA12 (0.30)
SCHEMBL9427844 0.84 GBA1 (0.35) KMT2AALDH1A1MAPK1SMN1; SMN2HPGD
SCHEMBL9742736 0.82 IDH1 (0.32) IDH1
SCHEMBL9429020 0.82
SCHEMBL9428750 0.80
SCHEMBL9429306 0.80 HTR2C (0.33) SCDHDAC1EHMT1HDAC6HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5300544-A Non-migrating 1-hydrocarbyloxy-2,2,6,6-tetramethylpiperdine 1,3,5-triazine derivatives as polymer stabilizers CIBA-GEIGY CORPORATION (US) 1994-04-05 US disclosed
US-5216156-A Stabilizers having functional groups which chemically bond with polymer substrates CIBA-GEIGY CORPORATION (US) 1993-06-01 US disclosed