SCHEMBL6865237

SCHEMBL6865237

O=C(O)CC1CN(CC(=O)O)CCCN(CC(=O)O)CCN(CC(=O)O)CCCN1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
BIRC2 Q13490 1/20 0.34
ITGB3 P05106 1/20 0.32
ITGB2 P05107 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32
ITGA5 P08648 1/20 0.32
ITGB5 P18084 1/20 0.32
ITGAL P20701 1/20 0.32
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
SLC6A9 P48067 1/20 0.30

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
SCHEMBL8815561 0.89 BIRC2 (0.40) HSD17B10BIRC2ITGB3ITGB2ITGB1
SCHEMBL31679369 0.88 CXCR4 (0.42) HSD17B10BIRC2ITGB3ITGB2ITGB1
SCHEMBL2781615 0.86 HSD17B10 (0.36) HSD17B10ITGB3ITGB2ITGB1ITGAV
SCHEMBL6100284 0.85 BIRC2 (0.41) HSD17B10BIRC2ITGB3ITGB2ITGB1
SCHEMBL15894887 0.82 BIRC2 (0.38) HSD17B10BIRC2ITGB3ITGB2ITGB1
SCHEMBL24296905 0.79 BIRC2 (0.36) HSD17B10BIRC2SIGMAR1
SCHEMBL19798127 0.77 HSD17B10 (0.41) HSD17B10ITGB3ITGA2BSIGMAR1SLC6A9
SCHEMBL9187015 0.76 BIRC2 (0.40) HSD17B10BIRC2SIGMAR1
SCHEMBL2914157 0.74 TSHR (0.38) BIRC2ITGB3ITGB2ITGB1ITGAV
SCHEMBL454245 0.74 HSD17B10 (0.56) HSD17B10ITGB3ITGA2BSIGMAR1SLC6A9

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-20040022857-A1 Synthesis of highly conjugated polymers GENERAL ELECTRIC COMPANY 2004-02-05 US claimed