SCHEMBL28993277

SCHEMBL28993277

COC(=O)c1ccc(C(=O)OC)cc1.[H]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.76
CA2 P00918 3/20 0.76
CA12 O43570 2/20 0.76
CA7 P43166 2/20 0.76
CA9 Q16790 2/20 0.76
CA14 Q9ULX7 2/20 0.76
TDP1 Q9NUW8 1/20 0.76
TSHR P16473 1/20 0.71
MAPT P10636 6/20 0.67
ALDH1A1 P00352 2/20 0.67
LOXL2 Q9Y4K0 1/20 0.64
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
XDH P47989 1/20 0.60
RAB9A P51151 2/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL23600 0.97 CA1 (0.80) CA1CA2CA12CA7CA9
SCHEMBL28993944 0.97 CA1 (0.80) CA1CA2CA12CA7CA9
Methyl Alcohol SCHEMBL28045001 0.94 CA1 (0.76) CA1CA2CA12CA7CA9
SCHEMBL28704033 0.94 CA1 (0.76) CA1CA2CA12CA7CA9
SCHEMBL28212836 0.94 CA1 (0.76) CA1CA2CA12CA7CA9
SCHEMBL28531063 0.94 CA1 (0.76) CA1CA2CA12CA7CA9
Methyl Alcohol SCHEMBL28561085 0.94 CA1 (0.76) CA1CA2CA12CA7CA9
Ammonia Solution, Strong SCHEMBL28873355 0.94 CA1 (0.76) CA1CA2CA12CA7CA9
Water SCHEMBL22720573 0.94 CA1 (0.76) CA1CA2CA12CA7CA9
SCHEMBL27557574 0.94 CA1 (0.76) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023233-A Method and system for producing 1, 4-cyclohexanedimethanol 中国石油化工股份有限公司 2023-04-28 CN claimed
CN-116023233-A Method and system for producing 1, 4-cyclohexanedimethanol 中国石油化工股份有限公司 2023-04-28 CN disclosed
CN-115990492-A Catalyst for preparing cyclohexane dicarboxylic acid ester by hydrogenation, and preparation method and application thereof 中国石油化工股份有限公司 2023-04-21 CN disclosed