SCHEMBL13348927

SCHEMBL13348927

CC/C=C/C(=O)NCCNC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.59
▸ LMNA P02545 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ HTT P42858 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ KEAP1 Q14145 2/20 0.48
▸ NFE2L2 Q16236 2/20 0.48
▸ SLC1A3 P43003 1/20 0.46
▸ SLC1A1 P43005 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ KAT2B Q92831 1/20 0.44

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
SCHEMBL12712296 0.87 TGM2 (0.63) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL13055383 0.82 LMNA (0.80) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL17227877 0.82 TGM2 (0.56) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL13314382 0.82 TGM2 (0.56) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL15216787 0.81 SMN1; SMN2 (0.56) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL30697760 0.80 TGM2 (0.86) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL13594188 0.80 ALDH1A1 (0.69) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL733157 0.79 LMNA (0.71) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL10243339 0.79 LMNA (0.71) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL7364819 0.79 LMNA (0.65) TGM2LMNASMN1; SMN2HTTL3MBTL1

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-8932992-B2 Templated molecules and methods for using such molecules NUEVOLUTION A/S (DK) 2015-01-13 — — US disclosed
US-7727713-B2 Templated molecules and methods for using such molecules NUEVOLUTION A/S (DK) 2010-06-01 — — US disclosed
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