SCHEMBL22955985

SCHEMBL22955985

CCCCC[C@H](/C=C/c1ccccc1/C=C/C(O[Si](C)(C)C(C)(C)C)C(CCCC(=O)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
FPR2 P25090 8/20 0.39
PPARG P37231 5/20 0.37
PPARA Q07869 3/20 0.35
PTGER3 P43115 2/20 0.32
PTGER4 P35408 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31

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
SCHEMBL588350 1.00 NFKB1 (0.41) NFKB1NFKB2RELAFPR2PPARG
SCHEMBL588353 1.00 NFKB1 (0.41) NFKB1NFKB2RELAFPR2PPARG
SCHEMBL588351 1.00 NFKB1 (0.41) NFKB1NFKB2RELAFPR2PPARG
SCHEMBL29564631 1.00 NFKB1 (0.41) NFKB1NFKB2RELAFPR2PPARG
SCHEMBL588352 1.00 NFKB1 (0.41) NFKB1NFKB2RELAFPR2PPARG
SCHEMBL588813 0.88 NFKB1 (0.40) NFKB1NFKB2RELAFPR2PPARG
SCHEMBL10062455 0.88 NFKB1 (0.40) NFKB1NFKB2RELAFPR2PPARG
SCHEMBL588811 0.88 NFKB1 (0.40) NFKB1NFKB2RELAFPR2PPARG
SCHEMBL588812 0.88 NFKB1 (0.40) NFKB1NFKB2RELAFPR2PPARG
SCHEMBL15942977 0.88 NFKB1 (0.38) NFKB1NFKB2RELAFPR2PPARG

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-2021021552-A1 SYNTHESIS OF PRO-RESOLVING ANALOGS AND COMPOSITIONS THEREFOR NOCENDRA INC. (US) 2021-02-04 WO disclosed