SCHEMBL20723734

SCHEMBL20723734

NC(=O)N(CCCCO)CCCCO

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CA2 P00918 1/20 0.32
CAMK2A Q9UQM7 1/20 0.32
NTRK2 Q16620 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
MLYCD O95822 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL6828098 0.97 GPR84 (0.39) GPR84FFAR1FFAR4CA2CAMK2A
SCHEMBL11498558 0.97 GPR84 (0.39) GPR84FFAR1FFAR4CA2CAMK2A
SCHEMBL194060 0.92 NTRK2 (0.36) GPR84FFAR1FFAR4CAMK2ANTRK2
SCHEMBL11361410 0.90 CA2 (0.34) GPR84FFAR1FFAR4CA2NTRK2
SCHEMBL11313988 0.90 CA12 (0.35) CA2CA12CA1CA9
SCHEMBL2843504 0.87 NTRK2 (0.34) CA2CAMK2ANTRK2CA12CA1
SCHEMBL2913454 0.87 CA12 (0.33) CA2CA12CA1CA9
SCHEMBL11317847 0.82 NTRK2 (0.38) CAMK2ANTRK2HDAC1HDAC6
SCHEMBL2827083 0.81 CA12 (0.41) CA2NTRK2CA12CA1CA9
SCHEMBL2829319 0.81 CA12 (0.48) CA2CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200368570-A1 SUPPRESSION OF FIRE FIREREIN INC. (CA) 2020-11-26 US claimed
US-20200368570-A1 SUPPRESSION OF FIRE FIREREIN INC. (CA) 2020-11-26 US disclosed
WO-2019033077-A1 OPTICAL ADHESIVE AND OPTICAL LAMINATES AND LENSES FORMED WITH SAME VISION EASE, LP (US) 2019-02-14 WO disclosed