SCHEMBL29412063

SCHEMBL29412063

Cc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC(CC(C)O)=CC2=CC(=O)[C@@]1(C)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.72
▸ MGAM O43451 2/20 0.72
▸ SI P14410 2/20 0.72
▸ MGAM2 Q2M2H8 2/20 0.72
▸ POLD1 P28340 3/20 0.69
▸ POLN Q7Z5Q5 3/20 0.69
▸ POLK Q9UBT6 3/20 0.69
▸ CYP3A4 P08684 3/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLG P54098 1/20 0.35
▸ ACHE P22303 1/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ TCF4 P15884 3/20 0.31
▸ CTNNB1 P35222 3/20 0.31

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
SCHEMBL10726983 0.58 CYP3A4 (0.57) CYP3A4TDP1SMN1; SMN2ACHEMEN1
SCHEMBL22799252 0.58 CYP3A4 (0.66) GAACYP3A4TDP1SMN1; SMN2ACHE
SCHEMBL12242925 0.56 POLD1 (0.40) GAAMGAMSIMGAM2POLD1
Orsellinic Acid, Ethyl Ester SCHEMBL1648471 0.56 CYP3A4 (1.00) CYP3A4TDP1SMN1; SMN2ACHEMEN1
Methyl Orsellinate SCHEMBL370816 0.56 CYP3A4 (1.00) GAACYP3A4TDP1SMN1; SMN2ACHE
SCHEMBL18570498 0.55 CYP3A4 (0.67) GAACYP3A4TDP1SMN1; SMN2ACHE
SCHEMBL10610261 0.55 CYP3A4 (0.67) CYP3A4TDP1SMN1; SMN2ACHEMEN1
SCHEMBL10727009 0.54 CYP3A4 (0.60) CYP3A4TDP1SMN1; SMN2ACHEMEN1
SCHEMBL10722726 0.54 CYP3A4 (0.81) CYP3A4TDP1SMN1; SMN2ACHEMEN1
SCHEMBL1129779 0.53 CYP3A4 (0.67) GAACYP3A4TDP1SMN1; SMN2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117362436-A anti-PD-L1 antibodies and uses thereof 桂林三金药业股份有限公司 2024-01-09 — — CN disclosed
CN-117062611-A Chimeric Antigen Receptor (CAR) constructs and NK cells expressing the CAR constructs 惠和生物技术(上海)有限公司 2023-11-14 — — CN disclosed
CN-112424225-B anti-PD-L1 antibodies and uses thereof 桂林三金药业股份有限公司 2023-08-11 — — CN disclosed
CN-108017880-B Formable cork resistant to mold 波音公司 2022-03-11 — — CN disclosed
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