SCHEMBL16307247

SCHEMBL16307247

CCCCCCCCC(CCCCCCCC)N1C(=O)c2c(C)sc(-c3sc(-c4sc(C)c5c4C(=O)N(CCCCCCCC)C5=O)c4c3C(=O)N(CCCCCCCC)C4=O)c2C1=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
MGLL Q99685 3/20 0.35
FAAH O00519 1/20 0.35
CES1 P23141 2/20 0.32
CDC25A P30304 1/20 0.32

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
SCHEMBL16307245 0.99 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHCES1
SCHEMBL16307273 0.91 PTGS1 (0.32) PTGS1PTGS2MGLLFAAH
SCHEMBL18504939 0.85 SMN1; SMN2 (0.33)
SCHEMBL16307270 0.84 FDPS (0.34) PTGS1PTGS2MGLLFAAH
SCHEMBL16307274 0.84
SCHEMBL14897910 0.83 PTGS1 (0.32) PTGS1PTGS2MGLLFAAH
SCHEMBL18504936 0.80 HSF1 (0.30)
SCHEMBL16604922 0.79 MGLL (0.48) PTGS1PTGS2MGLLFAAHCES1
SCHEMBL16604917 0.79 MGLL (0.48) PTGS1PTGS2MGLLFAAHCES1
SCHEMBL16604916 0.79 MGLL (0.48) PTGS1PTGS2MGLLFAAHCES1

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-20170044309-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIVERSITE LAVAL (CA) 2017-02-16 US disclosed
US-9505876-B2 Preparation of high molecular weight polymers by direct arylation and heteroarylation UNIVERSITE LAVAL (CA) 2016-11-29 US disclosed
US-20140371409-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIVERSITE LAVAL (CA) 2014-12-18 US disclosed