SCHEMBL28972091

SCHEMBL28972091

CC(C)(C)Cc1cccc(O)c1C(=O)NN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
CA12 O43570 4/20 0.42
CA7 P43166 4/20 0.42
CA14 Q9ULX7 4/20 0.42
THRB P10828 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 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
SCHEMBL21651081 0.81 BID (0.55) CA1CA2CA9CA12CA7
SCHEMBL8424844 0.78 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL1275546 0.75 GABRA1 (0.40) THRBKDM4EALDH1A1GABRA1GABRB2
SCHEMBL9877291 0.74 P2RX7 (0.45) CA1CA2CA9KDM4EALDH1A1
SCHEMBL182679 0.72 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL1685206 0.72 GABRA1 (0.40) THRBBIDMCL1BCL2L1BAK1
SCHEMBL6354470 0.71 IAPP (0.48) CA1CA2KDM4EALDH1A1GABRA1
SCHEMBL674324 0.70 HSPA5 (0.54) CA2CA9CA12KDM4EALDH1A1
SCHEMBL12473715 0.70 ALDH1A1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL1638645 0.70 CES2 (0.48) CA1CA2CA9CA12CA7

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-115698205-A Dark powder dispersion liquid, and base material with colored layer 住友金属矿山株式会社 2023-02-03 CN disclosed