SCHEMBL8650802

SCHEMBL8650802

O=C(CC(CCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)NCCCNC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
FOLH1 Q04609 2/20 0.52
CTRB1 P17538 2/20 0.51
TGM2 P21980 1/20 0.51
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
SLC1A3 P43003 1/20 0.48
SLC1A1 P43005 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
DPP8 Q6V1X1 1/20 0.47
DPP7 Q9UHL4 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
SCHEMBL8650797 1.00 HTT (0.56) HTTLMNASMN1; SMN2FOLH1CTRB1
SCHEMBL8646821 0.98 HTT (0.56) HTTLMNASMN1; SMN2FOLH1CTRB1
SCHEMBL8646826 0.98 HTT (0.56) HTTLMNASMN1; SMN2FOLH1CTRB1
SCHEMBL6652290 0.90 HTT (0.63) HTTLMNASMN1; SMN2FOLH1CTRB1
SCHEMBL6649610 0.90 HTT (0.63) HTTLMNASMN1; SMN2FOLH1CTRB1
SCHEMBL1024311 0.86 FOLH1 (0.61) HTTLMNASMN1; SMN2FOLH1TGM2
SCHEMBL19295618 0.86 HTT (0.60) HTTLMNASMN1; SMN2FOLH1CTRB1
Hydrochloric Acid SCHEMBL4889200 0.86 ANPEP (0.51) HTTFOLH1SLC1A3SLC1A1SIRT2
SCHEMBL6653860 0.85 FOLH1 (0.60) HTTLMNASMN1; SMN2FOLH1TGM2
SCHEMBL7064119 0.85 FOLH1 (0.60) HTTLMNASMN1; SMN2FOLH1TGM2

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-5849797-A D-β-lysylmethanediamine derivatives and preparation thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1998-12-15 US disclosed