SCHEMBL31090180

SCHEMBL31090180

COc1c(C)cc(C)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.52
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ MPI P34949 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ACHE P22303 2/20 0.46
▸ SELL P14151 1/20 0.46
▸ SELP P16109 1/20 0.46
▸ SELE P16581 1/20 0.46
▸ PIM1 P11309 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ TPMT P51580 4/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL658125 1.00 PTPN1 (0.53) PTPN1TDP1MAPTALDH1A1KDM4E
SCHEMBL68928 0.87 TDP1 (0.67) PTPN1TDP1MAPTALDH1A1KDM4E
SCHEMBL129762 0.82 ACHE (0.57) PTPN1TDP1MAPTALDH1A1KMT2A
SCHEMBL8084791 0.81 TDP1 (0.52) PTPN1TDP1MAPTALDH1A1KDM4E
SCHEMBL29421877 0.79 PTPN1 (0.62) PTPN1TDP1MAPTALDH1A1KDM4E
SCHEMBL10106591 0.79 PTPN1 (0.62) PTPN1TDP1MAPTALDH1A1KDM4E
SCHEMBL29421895 0.79 ACHE (0.70) PTPN1TDP1MAPTALDH1A1KDM4E
SCHEMBL1427958 0.79 ACHE (0.70) PTPN1TDP1MAPTALDH1A1KDM4E
SCHEMBL18838191 0.78 PIM1 (0.45) PTPN1TDP1MAPTALDH1A1KDM4E
SCHEMBL4490735 0.78 TDP1 (0.54) PTPN1TDP1MAPTALDH1A1KDM4E

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-118666647-A Green co-production method of benzoquinone compound and hydroquinone 浙江大学 2024-09-20 — — CN claimed
CN-118666647-A Green co-production method of benzoquinone compound and hydroquinone 浙江大学 2024-09-20 — — CN disclosed
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