SCHEMBL30749667

SCHEMBL30749667

COc1cccc(-c2ccccc2C=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.55
▸ BRD4 O60885 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ MAOB P27338 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ ACHE P22303 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ HDAC4 P56524 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ TRIM24 O15164 1/20 0.45
▸ TYR P14679 1/20 0.45
▸ TRIM33 Q9UPN9 1/20 0.45
▸ CYP1A1 P04798 1/20 0.45
▸ CYP2E1 P05181 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C8 P10632 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45

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
SCHEMBL895794 1.00 ERN1 (0.55) ERN1BRD4ALDH1A1MAOBLMNA
SCHEMBL5736902 0.87 ERN1 (0.52) ERN1BRD4ALDH1A1MAOBLMNA
SCHEMBL18002967 0.87 ERN1 (0.52) ERN1BRD4ALDH1A1MAOBLMNA
SCHEMBL4823238 0.86 ABL1 (0.58) ERN1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL16180395 0.86 ERN1 (0.51) ERN1BRD4ALDH1A1LMNACYP1A2
SCHEMBL8026739 0.83 TDO2 (0.48) BRD4ALDH1A1MAOBLMNACYP1A2
SCHEMBL7935351 0.83 ERN1 (0.44) ERN1ALDH1A1MAOBBACE1
SCHEMBL25195666 0.83 ERN1 (0.51) ERN1BRD4ALDH1A1MAOBLMNA
SCHEMBL30749653 0.83 PRKDC (0.41) ERN1BRD4ALDH1A1LMNAGAA
SCHEMBL29209347 0.83 PRKDC (0.41) ERN1BRD4ALDH1A1LMNAGAA

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