SCHEMBL28489405

SCHEMBL28489405

CC(C)(O)c1cccc(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 3/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 3/20 0.50
ALOX15 P16050 3/20 0.50
HSD17B10 Q99714 3/20 0.50
EGFR P00533 2/20 0.50
FYN P06241 2/20 0.50
MMP9 P14780 2/20 0.50
RECQL P46063 2/20 0.50
TSHR P16473 1/20 0.50
ADAMTS4 O75173 1/20 0.50
CA1 P00915 1/20 0.50
MMP2 P08253 1/20 0.50
MMP8 P22894 1/20 0.50
CA6 P23280 1/20 0.50
CDK2 P24941 1/20 0.50
MMP12 P39900 1/20 0.50
ADAMTS5 Q9UNA0 1/20 0.50

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
SCHEMBL11306335 0.86 CA2 (0.52) CA2ALDH1A1TDP1LMNAHPGD
SCHEMBL30504750 0.83 CA2 (0.76) CA2ALDH1A1TDP1LMNAHPGD
SCHEMBL36109 0.83 CA2 (0.76) CA2ALDH1A1TDP1LMNAHPGD
SCHEMBL986029 0.83 CA2 (0.54) CA2ALDH1A1TDP1LMNAHPGD
SCHEMBL9495142 0.83 CA2 (0.54) CA2ALDH1A1TDP1LMNAHPGD
SCHEMBL5589842 0.81 CA2 (0.52) CA2ALDH1A1TDP1LMNAHPGD
Ammonia Solution, Strong SCHEMBL30638319 0.81 CA2 (0.73) CA2ALDH1A1TDP1LMNAHPGD
SCHEMBL28456518 0.81 CA2 (0.52) CA2ALDH1A1TDP1LMNAHPGD
SCHEMBL28294220 0.81 CA2 (0.73) CA2ALDH1A1TDP1LMNAHPGD
Methyl Alcohol SCHEMBL28510467 0.81 CA2 (0.73) CA2ALDH1A1TDP1LMNAHPGD

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-211964115-U Mixed gas oxidation production system 上海优合生物科技有限公司 2020-11-20 CN disclosed