SCHEMBL9778076

SCHEMBL9778076

CCCCc1cscc1OCC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.32
ALOX5 P09917 5/20 0.31
PTGS2 P35354 4/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 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
SCHEMBL23317299 0.93 ALOX5 (0.38) TYRALOX5PTGS2MAPTALDH1A1
SCHEMBL9642052 0.89 CYP1A2 (0.39) TYRMAPTL3MBTL1GAA
SCHEMBL9641248 0.85 MEN1 (0.37) ALOX5PTGS2MAPTNPSR1
SCHEMBL9298398 0.82 ALOX5 (0.42) ALOX5PTGS2
SCHEMBL721811 0.81 ALOX5 (0.38) ALOX5PTGS2MAPTNPSR1
SCHEMBL9642087 0.81 TSHR (0.39) ALOX5PTGS2MAPTL3MBTL1ALDH1A1
SCHEMBL9298208 0.79 L3MBTL1 (0.42) MAPTL3MBTL1NPSR1ALDH1A1KDM4E
SCHEMBL150491 0.79 TYR (0.40) TYRALOX5MAPTNPSR1
SCHEMBL18729787 0.76 MEN1 (0.37) MAPTALDH1A1
SCHEMBL740846 0.76 NQO1 (0.41) MAPTL3MBTL1NPSR1ALDH1A1KDM4E

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-5066731-A Process for modifying electroconductive polymers using ion exchange HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-19 US disclosed