SCHEMBL19861310

SCHEMBL19861310

CCCCCCCC(C)(CC)CC(=O)NCCCN

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.46
CASP2 P42575 1/20 0.44
EPHX1 P07099 6/20 0.42
NAAA Q02083 1/20 0.41
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
RRM1 P23921 1/20 0.40
FAAH O00519 2/20 0.40
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 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
SCHEMBL20076162 0.91 SLC6A5 (0.46) SLC6A5CASP2EPHX1NAAAGNAI3
SCHEMBL19861156 0.85 CASP2 (0.42) SLC6A5CASP2EPHX1NAAARRM1
SCHEMBL20327677 0.82 RAB9A (0.41) CASP2EPHX1NAAAFAAH
SCHEMBL19861157 0.77 PAOX (0.45) SLC6A5
SCHEMBL20076165 0.77 CASP2 (0.43) SLC6A5CASP2EPHX1NAAARRM1
SCHEMBL20327681 0.77 MEN1 (0.54) EPHX1FAAH
SCHEMBL12335215 0.76 MEN1 (0.42) SLC6A5CASP2EPHX1NAAAGNAI3
SCHEMBL23567476 0.76 CASP2 (0.62) CASP2EPHX1NAAAFAAH
SCHEMBL5878829 0.76 TDP1 (0.52)
SCHEMBL5879093 0.76 TDP1 (0.52)

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
US-9890198-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2018-02-13 US disclosed