SCHEMBL28895697

SCHEMBL28895697

O=C(O)/C=C\C(=O)OC(=O)c1cc(O)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.53
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA7 P43166 4/20 0.53
CA9 Q16790 4/20 0.53
CA14 Q9ULX7 4/20 0.53
ALOX5 P09917 1/20 0.50
PTGS2 P35354 1/20 0.50
GUSB P08236 2/20 0.45
CHRNA7 P36544 5/20 0.44
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL344827 0.80 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL7299840 0.80 HPGD (0.51) CA12CA1CA2CA7CA9
Gentisic Acid SCHEMBL28895699 0.79 CA1 (0.80) CA12CA1CA2CA7CA9
SCHEMBL397366 0.79 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL27590291 0.76 MAPT (0.58) CA12CA1CA2CA7CA9
SCHEMBL33469 0.75 HCAR2 (0.50) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL27571851 0.75 HCAR2 (0.41) CA1CA2GAAMAPTKMT2A
SCHEMBL5267852 0.74 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL6759172 0.74 LMNA (0.47) CA12CA1CA2CA7CA9
SCHEMBL6759171 0.74 LMNA (0.47) CA12CA1CA2CA7CA9

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-115380022-A Preparation method of sarracycline hydrochloride 帕拉特克药品公司 2022-11-22 CN disclosed