SCHEMBL11577816

SCHEMBL11577816

CCCCCC[C@@H](O)C/C=C\CCCCCCC(Br)(Br)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.65
FFAR4 Q5NUL3 1/20 0.65
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
FAAH O00519 2/20 0.57
TOP1 P11387 2/20 0.44
OXER1 Q8TDS5 1/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
EP300 Q09472 1/20 0.43
PPARG P37231 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSPD1 P10809 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
SCHEMBL11578598 0.88 FFAR1 (0.64) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL2468701 0.86 FFAR1 (0.68) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL28466376 0.85 FFAR1 (0.67) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL8000151 0.85 FFAR1 (0.67) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL27728851 0.84 FFAR1 (0.65) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL30782800 0.83 FFAR1 (0.64) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL7557348 0.82 FFAR1 (0.94) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL7551779 0.82 FFAR1 (0.94) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL23092225 0.81 FFAR1 (0.76) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL23092269 0.81 FFAR1 (0.76) FFAR1FFAR4NFKB1NFKB2RELA

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
US-4120923-A Process for manufacturing foamed materials involving contacting a thin unbroken film of liquid resin with a gaseous blowing agent under pressure BAYER AKTIENGESELLSCHAFT (DE) 1978-10-17 US disclosed