SCHEMBL19634468

SCHEMBL19634468

CC(C)C(C)(C)CN1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PSMB1 P20618 3/20 0.33
PSMB5 P28074 3/20 0.33
HRH3 Q9Y5N1 3/20 0.33
PSMB2 P49721 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL17448415 0.83 MEN1 (0.31) MEN1KMT2APSMB1PSMB5PSMB2
SCHEMBL4094205 0.77 ALDH1A1 (0.40) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL9275856 0.76 CARM1 (0.35) TSHRTDP1
SCHEMBL24891399 0.74 HRH3 (0.39) MEN1KMT2APSMB1PSMB5HRH3
SCHEMBL12191564 0.74 HRH3 (0.39) MEN1KMT2APSMB1PSMB5HRH3
SCHEMBL22342735 0.74 HRH3 (0.39) MEN1KMT2APSMB1PSMB5HRH3
SCHEMBL3630893 0.74 HRH3 (0.39) MEN1KMT2APSMB1PSMB5HRH3
SCHEMBL135698 0.74 HRH3 (0.39) MEN1KMT2APSMB1PSMB5HRH3
SCHEMBL17886533 0.72 HRH3 (0.38) MEN1KMT2APSMB1PSMB5HRH3
SCHEMBL19766585 0.71 ATM (0.41) MEN1KMT2ANPSR1TSHRALDH1A1

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-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed