SCHEMBL9660974

SCHEMBL9660974

C=CC(=O)OCCCCCCS(=O)(=O)c1ccc(/N=N/c2ccc(N(C)CC(C)CC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 2/20 0.33
THRA P10827 1/20 0.33
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
HPGD P15428 1/20 0.33
MMP14 P50281 1/20 0.32
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
ABCB1 P08183 4/20 0.31
ABCC1 P33527 4/20 0.31
ABCG2 Q9UNQ0 4/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 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
SCHEMBL9318776 1.00 TSHR (0.34) TSHRALDH1A1CYP3A4THRBTHRA
SCHEMBL9318770 1.00 TSHR (0.34) TSHRALDH1A1CYP3A4THRBTHRA
SCHEMBL9318819 0.90 TSHR (0.35) TSHRALDH1A1CYP3A4THRBTHRA
SCHEMBL9318829 0.90 TSHR (0.35) TSHRALDH1A1CYP3A4THRBTHRA
SCHEMBL9317067 0.87 MMP14 (0.36) TSHRALDH1A1CYP3A4CA12CA2
SCHEMBL9317060 0.87 MMP14 (0.36) TSHRALDH1A1CYP3A4CA12CA2
SCHEMBL9317808 0.87 TSHR (0.36) TSHRTHRBTHRACA12CA2
SCHEMBL9317056 0.87 MMP14 (0.36) TSHRALDH1A1CYP3A4CA12CA2
SCHEMBL9318859 0.85 NPC1 (0.43) TSHRALDH1A1CYP3A4THRBTHRA
SCHEMBL9318866 0.85 NPC1 (0.43) TSHRALDH1A1CYP3A4THRBTHRA

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-5157541-A Support with dielectric, reflection metal, polymeric electrooptical layers, couterelectrode EASTMAN KODAK COMPANY (US) 1992-10-20 US disclosed