SCHEMBL10908663

SCHEMBL10908663

CCCCCCCCCCCC(=S)NCCCN

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.47
SIRT2 Q8IXJ6 2/20 0.46
SIRT1 Q96EB6 2/20 0.46
SIRT3 Q9NTG7 2/20 0.46
DNM1 Q05193 8/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
EPHX1 P07099 1/20 0.44
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
CASP2 P42575 1/20 0.41
RRM1 P23921 1/20 0.41

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
SCHEMBL11176825 0.88 EPHX1 (0.52) SIRT2SIRT1EPHX1CASP2
SCHEMBL22365675 0.88 EPHX1 (0.52) SIRT2SIRT1EPHX1CASP2
SCHEMBL11318989 0.88 EPHX1 (0.52) SIRT2SIRT1EPHX1CASP2
SCHEMBL11309804 0.88 EPHX1 (0.52) SIRT2SIRT1EPHX1CASP2
SCHEMBL18248636 0.88 EPHX1 (0.52) SIRT2SIRT1EPHX1CASP2
SCHEMBL14957807 0.88 EPHX1 (0.52) SIRT2SIRT1EPHX1CASP2
SCHEMBL9879639 0.88 EPHX1 (0.50) DNM1EPHX1CASP2
SCHEMBL18256335 0.82 FAAH (0.48) SIRT2SIRT1SIRT3EPHX1CASP2
SCHEMBL10909152 0.80 SELP (0.47) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL24682149 0.77 SLC6A5 (0.73) SLC6A5DNM1CASP2

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-4618416-A COLLECTORS FOR METAL SULFIDE MINERALS; FROTH FLOATATION SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) 1986-10-21 US disclosed