SCHEMBL10880786

SCHEMBL10880786

CC(COc1ccc(Oc2cccc(F)c2)cc1)C(C)NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
LMNA P02545 1/20 0.46
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
ACACB O00763 4/20 0.44
ACACA Q13085 3/20 0.44
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
GPR34 Q9UPC5 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER2 P43116 1/20 0.41

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
SCHEMBL10875225 0.81 HTR1D (0.47) HTR1DHTR1BLMNAFFAR1FFAR4
SCHEMBL10874874 0.81 FFAR4 (0.49) HTR1DHTR1BLMNAFFAR1FFAR4
SCHEMBL3582664 0.78 MTNR1A (0.57) HTR1DHTR1BMTNR1AMTNR1B
SCHEMBL4040995 0.78 LMNA (0.57) HTR1DHTR1BLMNAFFAR1FFAR4
SCHEMBL10875218 0.77 MAOB (0.46) HTR1DHTR1BFFAR1FFAR4
SCHEMBL10875252 0.76 HTR1D (0.47) HTR1DHTR1BLMNAFFAR1FFAR4
SCHEMBL10880776 0.75 HTR1D (0.44) HTR1DHTR1BLMNAFFAR1FFAR4
SCHEMBL10828131 0.75 FFAR4 (0.56) LMNAFFAR1FFAR4MTNR1AMTNR1B
SCHEMBL10874865 0.74 LMNA (0.44) HTR1DHTR1BLMNAFFAR1FFAR4
SCHEMBL4042859 0.74 USP2 (0.50) LMNAFFAR1FFAR4

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-4625048-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1986-11-25 US disclosed