SCHEMBL18870809

SCHEMBL18870809

CC(C)C(NC(=O)N1CCOCC1)C(=O)I

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
PKM P14618 1/20 0.62
HTT P42858 2/20 0.46
CTSS P25774 7/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL21142539 0.86 SMN1; SMN2 (0.66) SMN1; SMN2PKMHTTCTSSNPC1
SCHEMBL16580220 0.86 SMN1; SMN2 (0.66) SMN1; SMN2PKMHTTCTSSNPC1
SCHEMBL6445944 0.85 SMN1; SMN2 (0.64) SMN1; SMN2PKMHTTCTSSNPC1
SCHEMBL15429761 0.85 SMN1; SMN2 (0.64) SMN1; SMN2PKMHTTCTSSNPC1
SCHEMBL5839241 0.85 SMN1; SMN2 (0.64) SMN1; SMN2PKMHTTCTSSNPC1
SCHEMBL7339511 0.82 PKM (0.60) SMN1; SMN2PKMHTTCTSSNPC1
SCHEMBL7339518 0.82 PKM (0.60) SMN1; SMN2PKMHTTCTSSNPC1
SCHEMBL16577294 0.81 SMN1; SMN2 (0.58) SMN1; SMN2PKMHTTCTSSNPC1
SCHEMBL24568864 0.79 SMN1; SMN2 (0.70) SMN1; SMN2PKMHTTCTSSNPC1
SCHEMBL21547562 0.79 SMN1; SMN2 (0.70) SMN1; SMN2PKMHTTCTSSNPC1

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-2900656-B1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO LTD (CN) 2017-05-17 EP disclosed