SCHEMBL19851737

SCHEMBL19851737

CCCCCCCOCCNC(=O)CNCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.56
EPHX2 P34913 5/20 0.52
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
FAAH O00519 2/20 0.49
TSHR P16473 1/20 0.49
RECQL P46063 1/20 0.49
HPGD P15428 1/20 0.48
CNR2 P34972 3/20 0.47
CNR1 P21554 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL19851489 0.95 TSHR (0.55) TLR2EPHX2KDM4ELMNAFAAH
SCHEMBL19851687 0.87 HPGD (0.62) TLR2EPHX2FAAHHPGDCNR2
SCHEMBL19851486 0.87 HPGD (0.62) TLR2EPHX2FAAHHPGDCNR2
SCHEMBL19851487 0.83 SMN1; SMN2 (0.59) KDM4ELMNATSHRRECQLHPGD
SCHEMBL19851668 0.82 TLR2 (0.61) TLR2
SCHEMBL10380701 0.81 ALDH1A1 (0.50) EPHX2KDM4EFAAHRECQLHPGD
SCHEMBL21657637 0.80 KDM4E (0.59) TLR2KDM4ELMNAHPGDCNR2
SCHEMBL8468019 0.79 EPHX2 (0.74) EPHX2LMNAFAAHTSHRRECQL
SCHEMBL2368921 0.78 EPHX2 (0.50) TLR2EPHX2KDM4ELMNAFAAH
SCHEMBL14112016 0.78 EPHX2 (0.67) TLR2EPHX2LMNAFAAHTSHR

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
WO-2018026866-A1 LIPID-SUBSTITUTED AMINO 1,2-AND 1,3-DIOL COMPOUNDS AS MODULATORS OF TLR2 DIMERIZATION NEUROPORE THERAPIES, INC. (US) 2018-02-08 WO disclosed