SCHEMBL30909293

SCHEMBL30909293

CC(C)(C)c1cc(CC(CCCCCCC(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C(=O)O)C(=O)O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR5A2 O00482 1/20 0.41
NR5A1 Q13285 1/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2C9 P11712 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
FOLH1 Q04609 3/20 0.39
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
HSPA5 P11021 2/20 0.36
HIF1A Q16665 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 2/20 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
SCHEMBL28002293 0.95 NR5A2 (0.46) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL4613195 0.95 NR5A2 (0.46) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL28002622 0.95 NR5A2 (0.46) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL1116415 0.95 NR5A2 (0.46) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL5596317 0.95 ALDH1A1 (0.39) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL28002297 0.95 NR5A2 (0.46) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL27950319 0.95 NR5A2 (0.46) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL28853277 0.89 NR5A2 (0.42) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL3952180 0.88 ALDH1A1 (0.39) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL28013118 0.87 CYP2C19 (0.48) GAAALDH1A1XBP1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118055972-B Resin composition for heat-dissipating gap filler, and article 东京油墨株式会社 2024-11-19 CN disclosed
CN-118055972-A Resin composition for heat-dissipating gap filler, and article 东京油墨株式会社 2024-05-17 CN disclosed