SCHEMBL9751579

SCHEMBL9751579

CCCCCCCC/C=C\CCCCCCCC(CC(O)CCCCCCCCCCCC)N1C=NCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PDCD4 Q53EL6 3/20 0.38
FAAH O00519 2/20 0.36
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
MTOR P42345 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PLIN1 O60240 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL6691731 0.99 FFAR1 (0.39) FFAR1FFAR4PDCD4FAAHNFKB1
SCHEMBL15967417 0.86 CNR1 (0.37) ALDH1A1CYP2C9ALOX15MAPTMAPK1
SCHEMBL7566105 0.86 CNR1 (0.37) ALDH1A1CYP2C9ALOX15MAPTMAPK1
SCHEMBL487261 0.85 CNR1 (0.34) ALDH1A1TRPV1
SCHEMBL5617190 0.83 FFAR1 (0.38) FFAR1FFAR4FAAHALDH1A1CYP3A4
SCHEMBL6673297 0.83 FFAR1 (0.38) FFAR1FFAR4FAAHALDH1A1CYP3A4
SCHEMBL28469856 0.83 GPR84 (0.31) FFAR1
SCHEMBL14874997 0.82 SLC6A5 (0.34) FFAR1FFAR4FAAHALDH1A1TRPV1
SCHEMBL487258 0.80 FFAR1 (0.36) FFAR1FFAR4
Hydrochloric Acid SCHEMBL8962312 0.79 TRPV1 (0.40) FFAR1FFAR4FAAHNFKB1NFKB2

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
EP-0422179-A1 FABRIC CONDITIONERS. BP CHEM INT LTD (GB) 1991-04-17 EP disclosed