SCHEMBL3399884

SCHEMBL3399884

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cccnc2-c2c(C)noc2C)SC[C@H]1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 5/20 0.35
BRD4 O60885 6/20 0.32
CREBBP Q92793 2/20 0.32
BRD2 P25440 1/20 0.32
KMT2A Q03164 1/20 0.30
IDH1 O75874 1/20 0.30
KDM4E B2RXH2 3/20 0.30
ALDH1A1 P00352 3/20 0.30
HPGD P15428 3/20 0.30
MAPT P10636 2/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL315927 1.00 FFAR2 (0.35) FFAR2BRD4CREBBPBRD2KMT2A
SCHEMBL2413089 0.87 FFAR2 (0.38) FFAR2BRD4CREBBPBRD2KMT2A
SCHEMBL2413091 0.87 FFAR2 (0.38) FFAR2BRD4CREBBPBRD2KMT2A
SCHEMBL314667 0.85 BRD4 (0.32) FFAR2BRD4
SCHEMBL314668 0.85 BRD4 (0.32) FFAR2BRD4
SCHEMBL1973110 0.83 GRIN1 (0.36)
SCHEMBL1973109 0.83 GRIN1 (0.36)
SCHEMBL3398578 0.82 GPBAR1 (0.36) FFAR2BRD4BRD2ALDH1A1
SCHEMBL314817 0.82 GPBAR1 (0.36) FFAR2BRD4BRD2ALDH1A1
SCHEMBL316757 0.82 KDM4E (0.32) KMT2AKDM4EALDH1A1HPGDMAPT

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
EP-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed