SCHEMBL11569645

SCHEMBL11569645

C/C(=C/C(=O)OCC1CCCO1)NCC1CCCO1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 5/20 0.47
TP53 P04637 1/20 0.47
ALOX12 P18054 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL11569649 1.00 KMT2A (0.50) KMT2AMEN1LMNASMN1; SMN2POLB
SCHEMBL11721586 0.87 LMNA (0.46) KMT2AMEN1LMNASMN1; SMN2POLB
SCHEMBL11721599 0.87 LMNA (0.46) KMT2AMEN1LMNASMN1; SMN2POLB
SCHEMBL6955855 0.80 LMNA (0.53) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL3355917 0.78 SMN1; SMN2 (0.50) KMT2AMEN1LMNASMN1; SMN2POLB
SCHEMBL3355913 0.78 SMN1; SMN2 (0.50) KMT2AMEN1LMNASMN1; SMN2POLB
SCHEMBL9568018 0.76 LMNA (0.58) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL8862391 0.76 MGLL (0.48) LMNAPOLBALDH1A1
SCHEMBL9848728 0.76 MGLL (0.48) LMNAPOLBALDH1A1
SCHEMBL8416322 0.76 LMNA (0.62) LMNAPOLBALDH1A1

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-4161580-A Thermosetting mixtures of polyimide beta-amino crotonic acid derivative and polyamine which are stable on storage CIBA-GEIGY CORPORATION (US) 1979-07-17 US disclosed
US-4089845-A Thermosetting mixtures which are stable on storage from polyimide and .beta. CIBA-GEIGY CORPORATION (US) 1978-05-16 US disclosed