SCHEMBL28569210

SCHEMBL28569210

COCc1cc(C(=O)O)cc(COC)c1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TPMT P51580 2/20 0.41
PRKCE Q02156 2/20 0.40
HCAR1 Q9BXC0 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA3 P07451 1/20 0.39
PKM P14618 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
HCAR2 Q8TDS4 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
SCHEMBL29149136 0.87 TPMT (0.36) TDP1POLBL3MBTL1TPMTHCAR1
SCHEMBL15427797 0.79 ALDH1A1 (0.56) TDP1POLBL3MBTL1TPMTPRKCE
SCHEMBL11760556 0.79 TDP1 (0.45) TDP1POLBL3MBTL1TPMTPRKCE
SCHEMBL27978397 0.78 TDP1 (0.44) TDP1POLBL3MBTL1TPMTPRKCE
SCHEMBL29329045 0.77 ALDH1A1 (0.36) TDP1POLBL3MBTL1PRKCEALDH1A1
SCHEMBL16592917 0.75 PRKCE (0.35) TDP1POLBL3MBTL1PRKCEALDH1A1
SCHEMBL27781132 0.74 PTGS2 (0.47) TDP1POLBL3MBTL1TPMTPRKCE
SCHEMBL12837004 0.72 TPMT (0.46) TDP1POLBL3MBTL1TPMTPRKCE
SCHEMBL29705173 0.72 CA12 (0.47) TDP1POLBL3MBTL1TPMTPRKCE
SCHEMBL28527498 0.72 TPMT (0.46) TDP1POLBL3MBTL1TPMTPRKCE

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-112851506-B Industrial preparation method of 3, 5-dimethoxy-4-alkyl benzyl alcohol 湖北英纳氏生物科技有限公司 2023-06-23 CN claimed
CN-112851506-A Industrial preparation method of 3, 5-dimethoxy, 4-alkyl benzyl alcohol 湖北英纳氏生物科技有限公司 2021-05-28 CN claimed
CN-112851506-B Industrial preparation method of 3, 5-dimethoxy-4-alkyl benzyl alcohol 湖北英纳氏生物科技有限公司 2023-06-23 CN disclosed
CN-112851506-A Industrial preparation method of 3, 5-dimethoxy, 4-alkyl benzyl alcohol 湖北英纳氏生物科技有限公司 2021-05-28 CN disclosed