SCHEMBL16307283

SCHEMBL16307283

CCCCCCCCCCC(CCCCCCCC)CN1C(=O)c2c(C)sc(C)c2C1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
MGLL Q99685 2/20 0.32
FAAH O00519 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL16307284 1.00 LMNA (0.35) LMNAKMT2AKDM4EALDH1A1THRB
SCHEMBL16604934 1.00 LMNA (0.35) LMNAKMT2AKDM4EALDH1A1THRB
SCHEMBL16604924 0.98 LMNA (0.34) LMNAKMT2AKDM4EALDH1A1THRB
SCHEMBL16356252 0.88 ALDH1A1 (0.42) LMNAKMT2AKDM4EALDH1A1THRB
SCHEMBL16307272 0.86 ACE2 (0.36) KMT2APTGS1PTGS2MGLLFAAH
SCHEMBL25268578 0.83 LMNA (0.34) LMNAKMT2AKDM4EALDH1A1THRB
SCHEMBL18315217 0.83 LMNA (0.34) LMNAKMT2AKDM4EALDH1A1THRB
SCHEMBL12004179 0.83 LMNA (0.34) LMNAKMT2AKDM4EALDH1A1THRB
SCHEMBL16307281 0.83 PTGS1 (0.32) PTGS1PTGS2MGLLFAAH
SCHEMBL16307271 0.83 HSF1 (0.34) KMT2AKDM4EALDH1A1THRBHPGD

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