SCHEMBL23746804

SCHEMBL23746804

C=CC(=O)OC(CSc1cccc(CSC)c1)CSc1cccc(CSC)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
CYP1A2 P05177 1/20 0.30
MAOA P21397 1/20 0.30
THRB P10828 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
SCHEMBL23746860 0.91 PPARG (0.35) PPARGPPARA
SCHEMBL5088929 0.80 MAOA (0.48) MTNR1AMTNR1BMAOA
SCHEMBL29734626 0.80 MAOA (0.48) MTNR1AMTNR1BMAOA
SCHEMBL29734622 0.80 MAOA (0.48) MTNR1AMTNR1BMAOA
SCHEMBL5092633 0.79 MTNR1A (0.43) MTNR1AMTNR1BPPARGPPARAMAOA
SCHEMBL23722519 0.76 ALDH1A1 (0.39) MTNR1AMTNR1BTHRB
SCHEMBL23722516 0.76 ANPEP (0.44)
SCHEMBL5092611 0.73 HPGD (0.42)
SCHEMBL31088699 0.71 ALDH1A1 (0.34) THRB
SCHEMBL6752943 0.71 THRB (0.41) THRB

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-20210246266-A1 HIGH DYNAMIC RANGE TWO-STAGE PHOTOPOLYMERS NATIONAL SCIENCE FOUNDATION 2021-08-12 US disclosed