SCHEMBL6532587

SCHEMBL6532587

C=CC(CCCCC)N([C]=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
GPR84 Q9NQS5 7/20 0.37
FFAR1 O14842 2/20 0.37
ZDHHC20 Q5W0Z9 2/20 0.36
ZDHHC2 Q9UIJ5 2/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
FFAR4 Q5NUL3 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CA1 P00915 2/20 0.33
GRIK1 P39086 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
GRIK2 Q13002 1/20 0.33

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
SCHEMBL5139358 0.78 MAPT (0.33) MAPTGPR84FFAR1CA1
SCHEMBL8751663 0.74 CA2 (0.39) MAPTGPR84FFAR1ZDHHC20ZDHHC2
SCHEMBL27521083 0.67 TSHR (0.39) GPR84
SCHEMBL28146531 0.67 TSHR (0.39) GPR84
SCHEMBL27585313 0.67 TSHR (0.39) GPR84
SCHEMBL28051178 0.67 TSHR (0.39) GPR84
SCHEMBL5139759 0.67 OPRM1 (0.35)
SCHEMBL8735555 0.67 ADH1C (0.40) MAPTGPR84FFAR1ZDHHC20ZDHHC2
SCHEMBL5178163 0.67 TSHR (0.38) MAPTZDHHC20ZDHHC2CA1
SCHEMBL24322546 0.66 PLA2G1B (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US claimed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed