SCHEMBL8601286

SCHEMBL8601286

CCCCCCCC/C=C\CCCCCCCCC1=NCCN1.COS(=O)(=O)O

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.39
HTR1D P28221 2/20 0.39
PPARA Q07869 2/20 0.36
RAD52 P43351 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL28638896 0.87 HTR1D (0.48) EPHX2HTR1DADRA2C
SCHEMBL10623832 0.87 HTR1D (0.48) EPHX2HTR1DADRA2C
Hydrochloric Acid SCHEMBL1230861 0.87 HTR1D (0.48) EPHX2HTR1DADRA2C
SCHEMBL2948718 0.87 HTR1D (0.48) EPHX2HTR1DADRA2C
SCHEMBL16305 0.87 HTR1D (0.48) EPHX2HTR1DADRA2C
Phosphoric Acid SCHEMBL8585404 0.85 HTR1D (0.42) EPHX2HTR1DADRA1DADRA1AADRA1B
SCHEMBL8853282 0.83 FAAH (0.44) EPHX2
Oleic Acid SCHEMBL11593500 0.81 PPARG (0.57) EPHX2PPARA
SCHEMBL10674016 0.80 LPAR3 (0.46)
SCHEMBL9228053 0.79 EPHX2 (0.41) EPHX2PPARA

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-0518490-B1 Ink jet compositions containing desizing agents XEROX CORP (US) 1998-02-25 EP claimed