SCHEMBL9116596

SCHEMBL9116596

COc1ccc(C)cc1CC(C)CO

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
HTR2A P28223 1/20 0.45
HTT P42858 1/20 0.42
SLC13A5 Q86YT5 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
ELANE P08246 1/20 0.40
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL27453036 0.82 ACHE (0.52) ACHEHTR2AALDH1A1CYP3A4
SCHEMBL10922327 0.82 HTR2A (0.47) ACHEHTR2AHTTSLC13A5ALDH1A1
SCHEMBL6272475 0.82 LMNA (0.49) HTR2AHTTALDH1A1ALOX15
SCHEMBL4169345 0.79 TAAR1 (0.46) ALDH1A1CYP3A4
SCHEMBL4161045 0.79 TAAR1 (0.46) ALDH1A1CYP3A4
SCHEMBL4178223 0.79 TAAR1 (0.46) ALDH1A1CYP3A4
SCHEMBL6271473 0.78 KDM4E (0.48) HTR2AHTTALDH1A1ELANE
SCHEMBL697285 0.78 ACHE (0.56) ACHESLC13A5ALDH1A1CYP3A4ALOX12
SCHEMBL24899349 0.78 SLC13A5 (0.49) ACHEHTR2AHTTSLC13A5ALDH1A1
SCHEMBL748982 0.77 LMNA (0.50) HTTALDH1A1

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
WO-1995019761-A1 NOVEL ALKYL INDANE ALDEHYDE COMPOUNDS UNION CAMP CORPORATION (US) 1995-07-27 WO disclosed