SCHEMBL21454590

SCHEMBL21454590

C=CCC(C)NC(C)CCC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL25057766 0.85 ALDH1A1 (0.31)
Hydrochloric Acid SCHEMBL1423851 0.83 ALDH1A1 (0.30)
SCHEMBL12583427 0.80 TSHR (0.38) TSHR
SCHEMBL276383 0.80 TSHR (0.38) TSHR
SCHEMBL14002797 0.77
Hydrochloric Acid SCHEMBL22575465 0.77 TSHR (0.36) TSHR
SCHEMBL24263580 0.77
SCHEMBL26442029 0.74
SCHEMBL12583345 0.72 TSHR (0.35) TSHR
SCHEMBL7775219 0.72 TSHR (0.35) TSHR

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
WO-2019195104-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2019-10-10 WO disclosed