SCHEMBL567897

SCHEMBL567897

CC1(SCc2ccccc2)OC(=O)COC1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.34
TSHR P16473 2/20 0.34
ELANE P08246 2/20 0.34
CTSG P08311 1/20 0.34
PRTN3 P24158 1/20 0.34
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
S100A4 P26447 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 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
SCHEMBL566958 1.00 IDO1 (0.34) IDO1TSHRELANECTSGPRTN3
SCHEMBL9304191 0.69 HCAR3 (0.44) KMT2AMEN1ALDH1A1
SCHEMBL3791427 0.68 DDB1 (0.44) KMT2ANPSR1MEN1L3MBTL1ALDH1A1
SCHEMBL3791429 0.68 DDB1 (0.44) KMT2ANPSR1MEN1L3MBTL1ALDH1A1
SCHEMBL7365790 0.64 ELANE (0.47) ELANECTSGPRTN3NPSR1L3MBTL1
SCHEMBL6428912 0.62 DAO (0.33) IDO1TSHRELANEALDH1A1DDB1
SCHEMBL531260 0.61 LMNA (0.31) LMNA
SCHEMBL11287433 0.61 GRIN1 (0.38) TSHRALDH1A1GAADDB1CRBN
SCHEMBL6810670 0.60 ELANE (0.43) TSHRELANECTSGPRTN3KMT2A
SCHEMBL31270917 0.60 S100A4 (0.36) IDO1ELANENPSR1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035341-A1 PROCEDE DE POLYMERISATION PAR VOIE CATALYTIQUE DE 1,4-DIOXANES-2,5-DIONES ET LES POLYMERES CORRESPONDANTS MINASOLVE (FR) 2012-02-09 US disclosed
WO-2010100390-A1 CATALYTIC POLYMERIZATION METHOD FOR 1,4-DIOXANE-2,5-DIONES, AND CORRESPONDING POLYMERS MINASOLVE (FR) 2010-09-10 WO disclosed