SCHEMBL9830045

SCHEMBL9830045

CCOC(=O)CCN(C)CC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CYP1A2 P05177 1/20 0.45
LTA4H P09960 3/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 5/20 0.41
TRPA1 O75762 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4788929 0.91 MEN1 (0.60) MEN1KMT2ACA12CA1CA2
SCHEMBL3902356 0.88 MEN1 (0.48) MEN1KMT2ACA12CA1CA2
SCHEMBL19317379 0.85 CA12 (0.52) MEN1KMT2ACA12CA1CA2
SCHEMBL11668776 0.85 MEN1 (0.54) MEN1KMT2ACA12CA1CA2
SCHEMBL12589581 0.84 CA12 (0.59) MEN1KMT2ACA12CA1CA2
SCHEMBL8632462 0.83 CYP1A2 (0.55) MEN1KMT2ACA12CA1CA2
SCHEMBL20937014 0.83 LTA4H (0.54) MEN1KMT2ACA12CA1CA2
SCHEMBL16914705 0.83 CA12 (0.50) MEN1KMT2ACA12CA1CA2
SCHEMBL23583339 0.82 CYP1A2 (0.59) MEN1KMT2ACA12CA1CA2
SCHEMBL11585949 0.82 KDM5A (0.53) MEN1KMT2ACYP1A2LTA4HMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed
EP-3225281-A1 GNAQ TARGETED DSRNA COMPOSITIONS AND METHODS FOR INHIBITING EXPRESSION Alnylam Pharmaceuticals, Inc. (US) 2017-10-04 EP disclosed
EP-2617828-B1 Compositions and methods for inhibiting expression of factor VII gene ALNYLAM PHARMACEUTICALS INC (US) 2014-09-24 EP disclosed