SCHEMBL30002204

SCHEMBL30002204

CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
LMNA P02545 3/20 0.41
HIF1A Q16665 3/20 0.41
TSHR P16473 2/20 0.41
GMNN O75496 2/20 0.41
PMP22 Q01453 2/20 0.41
APEX1 P27695 1/20 0.41
ALOX15 P16050 4/20 0.40
ALDH1A1 P00352 8/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PTGS1 P23219 4/20 0.34
DRD3 P35462 2/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
CYP3A4 P08684 4/20 0.32
APP P05067 3/20 0.32
SNCA P37840 3/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NR2E1 Q9Y466 1/20 0.32

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
SCHEMBL2837999 1.00 MAPT (0.61) MAPTLMNAHIF1ATSHRGMNN
SCHEMBL18582451 0.94 MAPT (0.56) MAPTLMNAHIF1ATSHRGMNN
SCHEMBL40179 0.94 MAPT (0.56) MAPTLMNAHIF1ATSHRGMNN
SCHEMBL2832598 0.93 MAPT (0.76) MAPTLMNAHIF1ATSHRGMNN
SCHEMBL545399 0.93 MAPT (0.76) MAPTLMNAHIF1ATSHRGMNN
SCHEMBL2840387 0.92 MAPT (0.53) MAPTLMNAHIF1ATSHRGMNN
SCHEMBL2836348 0.87 ALOX15 (0.54) MAPTLMNAHIF1ATSHRGMNN
SCHEMBL2841013 0.83 MAPT (0.67) MAPTLMNAHIF1ATSHRGMNN
SCHEMBL42982 0.83 MAPT (0.67) MAPTLMNAHIF1ATSHRGMNN
SCHEMBL18582699 0.83 MAPT (0.67) MAPTLMNAHIF1ATSHRGMNN

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
WO-2022203440-A1 COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASE CAUSED BY ULTRAFINE DUST, COMPRISING CODIUM FRAGILE EXTRACT AS ACTIVE INGREDIENT 경상국립대학교산학협력단 2022-09-29 WO disclosed