SCHEMBL28645328

SCHEMBL28645328

[CH2]c1ccc(OCCCCCCCCCCCC)cc1OCCCCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.51
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.46
LTA4H P09960 3/20 0.46
PLA2G4B P0C869 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
CNR2 P34972 2/20 0.44
PTPN11 Q06124 1/20 0.43

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
SCHEMBL19549600 1.00 NR5A1 (0.51) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL2094045 1.00 NR5A1 (0.51) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL15404359 1.00 NR5A1 (0.51) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL8019643 0.90 THRA (0.52) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL5248264 0.87 LTA4H (0.43) TP53LTA4H
SCHEMBL5251026 0.84 NR5A1 (0.49) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL9782939 0.84 THRA (0.46) NR5A1TSHRLTA4HPLA2G4BTHRA
SCHEMBL13412633 0.84 NR5A1 (0.56) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL2499383 0.82 NR5A1 (0.53) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL29657341 0.82 NR5A1 (0.53) NR5A1TSHRTP53LTA4HPLA2G4B

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-107207555-B Precipitation accelerator and precipitation method using the same 味之素株式会社 2021-10-22 CN disclosed