SCHEMBL28972003

SCHEMBL28972003

CC(C)(C)c1ccc(O)c(C(=O)NN)c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.40
GAA P10253 3/20 0.39
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 3/20 0.35
GFER P55789 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP3A4 P08684 2/20 0.35
HTT P42858 2/20 0.35
BLM P54132 2/20 0.35
NR1I2 O75469 1/20 0.35
CYP2C9 P11712 1/20 0.35
MIF P14174 1/20 0.35
TYR P14679 1/20 0.35
NFE2L2 Q16236 1/20 0.35
MPO P05164 1/20 0.35
KDM5A P29375 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL3630959 0.79 THRB (0.47) GAAHSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL18587755 0.71 HSP90AA1 (0.58) NR1H4GAAHSP90AA1HSP90AB1ALDH1A1
SCHEMBL23387407 0.70 ALDH1A1 (0.48) GAAALDH1A1LMNAGFERCYP3A4
SCHEMBL30048420 0.69 ALDH1A1 (0.48) GAAHSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL142313 0.69 ALDH1A1 (0.48) GAAHSP90AA1HSP90AB1ALDH1A1LMNA
Phosphoric Acid SCHEMBL8630742 0.69 ALDH1A1 (0.41) NR1H4GAAHSP90AA1HSP90AB1ALDH1A1
SCHEMBL11319463 0.69 MEN1 (0.37) NR1H4GAAHSP90AA1HSP90AB1ALDH1A1
SCHEMBL27750595 0.68 ALDH1A1 (0.39) GAAHSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL50519 0.68 ALDH1A1 (0.46) GAAHSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL8424844 0.68 CA1 (0.52) GAAALDH1A1LMNAGFERCYP3A4

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