SCHEMBL16378068

SCHEMBL16378068

CCCC(CCNC(=O)OCc1ccccc1)C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.60
▸ SLC1A1 P43005 1/20 0.60
▸ LMNA P02545 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HTT P42858 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ MAPT P10636 1/20 0.52
▸ CTSL P07711 1/20 0.50
▸ CTSS P25774 1/20 0.50
▸ CTSK P43235 1/20 0.49
▸ TGM2 P21980 1/20 0.48
▸ KEAP1 Q14145 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47

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
SCHEMBL14985684 0.91 SLC1A3 (0.69) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL14985686 0.88 SLC1A3 (0.59) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL14985688 0.86 SLC1A3 (0.57) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL20782480 0.85 LMNA (0.60) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL15505928 0.84 SLC1A3 (0.55) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL16299891 0.84 LMNA (0.58) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL18375320 0.84 LMNA (0.58) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL14985685 0.83 SLC1A3 (0.54) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL9564585 0.83 SLC1A3 (0.59) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL12658531 0.83 SLC1A3 (0.62) SLC1A3SLC1A1LMNASMN1; SMN2HTT

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-8927534-B2 Compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2015-01-06 — — US disclosed
Send feedback