SCHEMBL7979352

SCHEMBL7979352

CCC1(CC)CNCCNCCNCCNC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.35
MAPT P10636 1/20 0.35
PDE4A P27815 1/20 0.35
KDR P35968 1/20 0.35
CXCR4 P61073 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21515959 0.97 TSHR (0.30)
SCHEMBL3405454 0.84
Hydrochloric Acid SCHEMBL25368333 0.81
SCHEMBL2279102 0.80
SCHEMBL11008857 0.76 SOS1 (0.31)
SCHEMBL14753708 0.74 SOS1 (0.34)
SCHEMBL28017220 0.74 TSHR (0.33)
SCHEMBL443124 0.73 OPRM1 (0.31)
SCHEMBL9408032 0.73
SCHEMBL17642692 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001002343-A1 IMPROVED SYNTHESIS OF A TETRAAMIDO MACROCYCLE LIGAND FROM A NOVEL DIAMIDODIOL THE CLOROX COMPANY (US) 2001-01-11 WO disclosed
WO-2000071542-A1 IMPROVED SYNTHESIS OF A TETRAAMIDO MACROCYCLE LIGAND THE CLOROX COMPANY (US) 2000-11-30 WO disclosed