SCHEMBL3854594

SCHEMBL3854594

CCCCC(C)N.CCCCC(C)N

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.82
TP53 P04637 1/20 0.61
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
SPHK1 Q9NYA1 1/20 0.44
DNM1 Q05193 2/20 0.43
SLC15A1 P46059 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL354351 1.00
SCHEMBL105432 1.00
SCHEMBL353779 1.00
SCHEMBL28678588 0.97
Water SCHEMBL11207167 0.97
Hydrochloric Acid SCHEMBL3814517 0.97
Ammonia Solution, Strong SCHEMBL5176935 0.97
Iodide SCHEMBL27231983 0.97
Hydrochloric Acid SCHEMBL8347529 0.97
Bromide SCHEMBL27224648 0.97

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
EP-1436286-B1 FUMAGILLOL DERIVATIVES AND PREPARING METHOD THEREOF EQUISPHARM CO LTD (KR) 2009-08-19 EP disclosed