SCHEMBL9987651

SCHEMBL9987651

CC(C)COC(=O)COc1ccc2n[c]sc2n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACACB O00763 5/20 0.34
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
TP53 P04637 1/20 0.32
CA2 P00918 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
ELANE P08246 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
SCHEMBL971465 0.86 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2GAAHSD17B10
SCHEMBL9987433 0.84 LTA4H (0.35) KDM4EALDH1A1ACACBCA2
SCHEMBL9988112 0.83 LTA4H (0.36) TDP1KDM4EALDH1A1ACACBCA2
SCHEMBL1068827 0.82 ALDH1A1 (0.41) TSHRTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL9987340 0.81 LMNA (0.44) TSHRL3MBTL1KDM4EALDH1A1ACACB
SCHEMBL9988123 0.79 KDM4E (0.34) KDM4EACACB
SCHEMBL971469 0.78 ALDH1A1 (0.40) TDP1KDM4EALDH1A1
SCHEMBL9988118 0.75 ACACB (0.38) ACACB
SCHEMBL9987440 0.74 GPR119 (0.45) TSHRACACB
SCHEMBL9987655 0.72 GPR119 (0.41) ACACB

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
EP-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
WO-2011157682-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed