SCHEMBL11099000

SCHEMBL11099000

CNC(=O)ON=C(C)SCC(=O)N1CCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
CASP6 P55212 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL11090162 0.71 ALDH1A1 (0.44) ALDH1A1HPGDTDP1L3MBTL1KMT2A
SCHEMBL11060249 0.71 TDP1 (0.34) ALDH1A1TDP1TSHR
SCHEMBL11060245 0.71 TDP1 (0.34) ALDH1A1TDP1TSHR
SCHEMBL8781208 0.67 TDP1 (0.36) ALDH1A1TDP1TSHR
SCHEMBL14336999 0.67 LMNA (0.66) LMNAALDH1A1HPGDTDP1CASP6
SCHEMBL11095531 0.67 TDP1 (0.32) ALDH1A1TDP1TSHR
SCHEMBL9621839 0.67 LMNA (0.76) LMNATDP1CASP6L3MBTL1KMT2A
SCHEMBL28007670 0.64 LMNA (0.66) LMNATDP1CASP6L3MBTL1KMT2A
SCHEMBL5148311 0.64 LMNA (0.53) LMNATDP1CASP6L3MBTL1KMT2A
SCHEMBL9333110 0.64 LMNA (0.70) LMNAALDH1A1HPGDTDP1CASP6

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-4454134-A INSECTICIDES, MITICIDES UNION CARBIDE CORPORATION (US) 1984-06-12 US disclosed