SCHEMBL9988112

SCHEMBL9988112

CC(C)COC(=O)CNCCCOc1ccc2n[c]sc2n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ACACB O00763 3/20 0.33
KDM4E B2RXH2 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9987433 0.97 LTA4H (0.35) LTA4HALDH1A1LMNACA1CA2
SCHEMBL9987340 0.85 LMNA (0.44) ALDH1A1LMNAACACBKDM4E
SCHEMBL974267 0.84 LTA4H (0.33) LTA4H
SCHEMBL9987651 0.83 TSHR (0.40) ALDH1A1CA2ACACBKDM4ETDP1
SCHEMBL9988123 0.75 KDM4E (0.34) ACACBKDM4E
SCHEMBL9987650 0.71 MTNR1A (0.31)
SCHEMBL969683 0.70 PIK3CD (0.39) ALDH1A1CA1CA2
SCHEMBL970374 0.69 ACSS2 (0.35) ALDH1A1KDM4ETDP1
SCHEMBL9988118 0.69 ACACB (0.38) ACACB
SCHEMBL971469 0.67 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1

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