SCHEMBL3797356

SCHEMBL3797356

NCCCCC1CC(CCCCN)CC(CCCCN)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.56
NFKB1 P19838 1/20 0.44
DNM1 Q05193 5/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37

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
SCHEMBL22650961 0.87 SIGMAR1 (0.46) SIGMAR1NFKB1DNM1CA12CA1
SCHEMBL19798199 0.84 SIGMAR1 (0.54) SIGMAR1NFKB1DNM1CA12CA1
SCHEMBL134072 0.81
SCHEMBL22461826 0.80 SIGMAR1 (0.83) SIGMAR1DNM1CA12CA1CA2
Hydrochloric Acid SCHEMBL23123533 0.79
SCHEMBL131735 0.79 SIGMAR1 (0.76) SIGMAR1NFKB1DNM1CA12CA1
SCHEMBL129839 0.79
SCHEMBL24344783 0.78 SIGMAR1 (0.43) SIGMAR1NFKB1
SCHEMBL919889 0.77
SCHEMBL920856 0.77 SIGMAR1 (0.90) SIGMAR1NFKB1DNM1CA12CA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115651495-B Self-cleaning epoxy joint beautifying agent and preparation method thereof 宿迁东方雨虹建筑材料有限公司 2024-11-12 CN claimed
CN-115651495-A Self-cleaning epoxy crack sealer and preparation method thereof 宿迁东方雨虹建筑材料有限公司 2023-01-31 CN claimed
US-7790234-B2 Low dielectric constant materials prepared from soluble fullerene clusters XYLON LLC 2010-09-07 US claimed
CN-115651495-B Self-cleaning epoxy joint beautifying agent and preparation method thereof 宿迁东方雨虹建筑材料有限公司 2024-11-12 CN disclosed
CN-115651495-A Self-cleaning epoxy crack sealer and preparation method thereof 宿迁东方雨虹建筑材料有限公司 2023-01-31 CN disclosed