SCHEMBL18949015

SCHEMBL18949015

CCCCCCCC(C)C(=O)[C@H]1COC(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.40
CA1 P00915 2/20 0.39
PRKCD Q05655 4/20 0.37
ACE2 Q9BYF1 1/20 0.36
NAAA Q02083 1/20 0.34
CNR1 P21554 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
ACE P12821 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PTPN1 P18031 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
SCHEMBL18949074 1.00 CCR2 (0.40) CCR2CA1PRKCDACE2NAAA
SCHEMBL18782741 0.87 CA2 (0.38) CCR2PRKCDCNR1DAGLA
SCHEMBL18782946 0.87 CA2 (0.38) CCR2PRKCDCNR1DAGLA
SCHEMBL19364679 0.85 CA2 (0.36) CCR2PRKCDCNR1DAGLA
SCHEMBL18949165 0.79 CA2 (0.34) CA1PRKCD
SCHEMBL8231382 0.77 TACR1 (0.33)
SCHEMBL12986294 0.77 PRKCD (0.37) CCR2PRKCDNAAADAGLA
SCHEMBL17589087 0.75 CCR2 (0.38) CCR2CA1PRKCDACE2
SCHEMBL28986572 0.75 CA1 (0.36) CCR2CA1PRKCDNAAA
SCHEMBL28986564 0.75 CA1 (0.36) CCR2CA1PRKCDNAAA

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-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed