SCHEMBL30749700

SCHEMBL30749700

CC(C)(C)Oc1cccc(-c2ccccc2)c1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
ACLY P53396 1/20 0.36
ADRB2 P07550 5/20 0.36
DRD1 P21728 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
PTGS2 P35354 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
HTR7 P34969 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ADRB1 P08588 2/20 0.34

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
SCHEMBL29209371 1.00 MEN1 (0.37) MEN1KMT2ARAB9AACLYADRB2
SCHEMBL6535972 0.84 FFAR4 (0.43) MEN1KMT2ARAB9ADRD1DRD2
SCHEMBL13822010 0.82 ALDH1A1 (0.43) MEN1KMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL9754385 0.81 ERN1 (0.45) MEN1KMT2ARAB9AACLYADRB2
SCHEMBL29209343 0.80 PPARG (0.33) RAB9AACLYADRB2PTGS2CYP2C9
SCHEMBL8017279 0.79 HTR7 (0.46) RAB9AADRB2PTGS2HTR7ALDH1A1
SCHEMBL27515199 0.77 HTR7 (0.44) RAB9AADRB2HTR7ALDH1A1KDM4E
SCHEMBL954787 0.76 MEN1 (0.53) MEN1KMT2ARAB9APTGS2ALDH1A1
SCHEMBL8732652 0.76 ALDH1A1 (0.57) MEN1KMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL19543142 0.76 ALDH1A1 (0.38) MEN1KMT2ACYP2C9CYP2C19ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510306-A Preparation method of 3-phenanthryl alcohol 浙江凯普化工有限公司 2024-02-06 CN claimed
CN-117510306-A Preparation method of 3-phenanthryl alcohol 浙江凯普化工有限公司 2024-02-06 CN disclosed