SCHEMBL22991422

SCHEMBL22991422

CCCOCCOc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPK1 P28482 1/20 0.39
▸ SCN5A Q14524 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ GABRA1 P14867 2/20 0.37
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ PTGS1 P23219 1/20 0.36

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
SCHEMBL13408055 0.89 TSHR (0.51) TSHRALOX15L3MBTL1MAPK1SCN5A
SCHEMBL12414979 0.87 TSHR (0.48) TSHRALOX15L3MBTL1SCN5ASCN9A
SCHEMBL18613163 0.82 TSHR (0.47) TSHRALOX15L3MBTL1SCN5ASCN9A
SCHEMBL10228449 0.82 TSHR (0.47) TSHRALOX15L3MBTL1SCN5ASCN9A
SCHEMBL19880291 0.81 ALOX15 (0.43) TSHRALOX15L3MBTL1SCN5ASCN9A
SCHEMBL9945946 0.79 MAPK1 (0.49) TSHRALOX15MAPK1SCN5ASCN9A
SCHEMBL13408054 0.78 TSHR (0.47) TSHRALOX15SCN5ASCN9ASCN10A
SCHEMBL10299386 0.78 TSHR (0.49) TSHRALOX15L3MBTL1SCN5ASCN9A
SCHEMBL13408056 0.77 L3MBTL1 (0.46) TSHRALOX15L3MBTL1MAPK1SCN5A
SCHEMBL13901957 0.77 TSHR (0.46) TSHRALOX15L3MBTL1SCN5ASCN9A

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-20210047457-A1 COMPOUND, RESIN, COMPOSITION AND PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-02-18 — — US disclosed
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