SCHEMBL18319983

SCHEMBL18319983

CCCCSSC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
NAAA Q02083 2/20 0.31
SLC2A1 P11166 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL16710874 0.94 CYP1A2 (0.40) CYP1A2NAAASIGMAR1EPHX1
SCHEMBL16710733 0.92 CYP1A2 (0.39) CYP1A2NAAASIGMAR1EPHX1
SCHEMBL29093729 0.89 CYP1A2 (0.35) CYP1A2NAAASIGMAR1EPHX1
SCHEMBL29044819 0.89
SCHEMBL19865522 0.84 CYP1A2 (0.31) CYP1A2
SCHEMBL329132 0.77 CYP1A2 (0.44) CYP1A2NAAASLC2A1SIGMAR1EPHX1
SCHEMBL10774762 0.77 CYP1A2 (0.44) CYP1A2NAAASLC2A1SIGMAR1EPHX1
SCHEMBL13266798 0.77 CYP1A2 (0.44) CYP1A2NAAASLC2A1SIGMAR1EPHX1
SCHEMBL10775300 0.77 CYP1A2 (0.44) CYP1A2NAAASLC2A1SIGMAR1EPHX1
SCHEMBL16710784 0.77 EPHX1 (0.33) EPHX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246648-B2 Process for managing sulphur species CES TECHNOLOGY S.A.R.L. (LU) 2019-04-02 US disclosed
US-20180105753-A1 PROCESS FOR MANAGING SULPHUR SPECIES CESH INTERNATIONAL TECHNOLOGY KFT (HU) 2018-04-19 US disclosed
WO-2016203449-A1 PROCESS FOR MANAGING SULPHUR SPECIES CES TECHNOLOGY S.À.R.L. (LU) 2016-12-22 WO disclosed