SCHEMBL17227877

SCHEMBL17227877

C[C@@H](O)/C=C/C(=O)NCCNC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.56
▸ LMNA P02545 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HTT P42858 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MAPT P10636 1/20 0.48
▸ SLC1A3 P43003 1/20 0.47
▸ SLC1A1 P43005 1/20 0.47
▸ CTSL P07711 2/20 0.47
▸ CTSS P25774 2/20 0.47
▸ KEAP1 Q14145 2/20 0.46
▸ NFE2L2 Q16236 2/20 0.46
▸ FOLH1 Q04609 1/20 0.46
▸ CTSK P43235 1/20 0.46

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
SCHEMBL13314382 1.00 TGM2 (0.56) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL12712296 0.85 TGM2 (0.63) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL13348927 0.82 TGM2 (0.59) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL13055383 0.80 LMNA (0.80) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL19120695 0.79 HSD17B10 (0.47) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL966270 0.78 LMNA (0.63) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL30697760 0.78 TGM2 (0.86) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL26630558 0.78 LMNA (0.63) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL19750475 0.78 LMNA (0.63) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL8247523 0.78 LMNA (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170198283-A1 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES NUEVOLUTION A/S (DK) 2017-07-13 — — US disclosed
US-9688980-B2 Templated molecules and methods for using such molecules NUEVOLUTION (DK) 2017-06-27 — — US disclosed
US-20150315567-A1 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES NUEVOLUTION A/S (DK) 2015-11-05 — — US disclosed
Send feedback