SCHEMBL8988091

SCHEMBL8988091

CCCCCCC(O)CC=CCCCCCCCC1=NC(C)(C)CO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
FAAH O00519 2/20 0.44
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TRPV1 Q8NER1 2/20 0.37
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MTOR P42345 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PLIN1 O60240 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 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
SCHEMBL8988083 1.00 FFAR1 (0.49) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL677207 0.86 EPHX2 (0.39) FAAHTRPV1CYP3A4ALDH1A1MEN1
SCHEMBL677206 0.86 EPHX2 (0.39) FAAHTRPV1CYP3A4ALDH1A1MEN1
SCHEMBL23198744 0.82 TRPV1 (0.39) FFAR1FFAR4FAAHTRPV1CYP3A4
SCHEMBL8340808 0.80 FFAR1 (0.50) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL8340806 0.80 FFAR1 (0.50) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL8389006 0.80 FFAR1 (0.50) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL10382157 0.78 FFAR1 (0.48) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL10382159 0.78 FFAR1 (0.48) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL9787850 0.78 LPL (0.33) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0472560-B1 CYCLIC POLYIMINOETHERS HENKEL KGAA (DE) 1996-07-10 EP disclosed
US-5196544-A CYCLIC OLIGOIMINOETHERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-03-23 US disclosed
WO-1990014341-A1 NEW CYCLIC POLYIMINOETHERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-11-29 WO disclosed