SCHEMBL9397903

SCHEMBL9397903

CCCC(O)c1cc(C)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.39
▸ PDE4A P27815 2/20 0.37
▸ PDE4B Q07343 2/20 0.37
▸ PDE4C Q08493 2/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ AOC3 Q16853 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TACR1 P25103 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ TAS1R3 Q7RTX0 2/20 0.33
▸ TAS1R1 Q7RTX1 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL6448011 0.89 ALDH1A1 (0.44) ADRB2PDE4APDE4BPDE4CPDE4D
SCHEMBL28266226 0.83 HTT (0.37) ADRB2PDE4APDE4BPDE4CPDE4D
SCHEMBL15195819 0.76 AOC3 (0.62) AOC3L3MBTL1TAS1R3TAS1R1
SCHEMBL13850026 0.76 AOC3 (0.62) AOC3L3MBTL1TAS1R3TAS1R1
SCHEMBL3907003 0.76 AOC3 (0.62) AOC3L3MBTL1TAS1R3TAS1R1
SCHEMBL11914197 0.76 ALDH1A1 (0.46) AOC3ALDH1A1MAPTTACR1CYP3A4
SCHEMBL21366670 0.76 ALDH1A1 (0.40) ALDH1A1TACR1CYP3A4PTPN1ACHE
SCHEMBL16362234 0.76 ALDH1A1 (0.46) AOC3ALDH1A1MAPTTACR1CYP3A4
SCHEMBL17820663 0.75 CYP3A4 (0.43) ADRB2PDE4APDE4BPDE4CPDE4D
SCHEMBL10784989 0.74 ADRB2 (0.39) ADRB2PDE4APDE4BPDE4CPDE4D

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-5292720-A Formate ester indane compounds UNION CAMP CORPORATION (US) 1994-03-08 — — US disclosed
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