SCHEMBL9699443

SCHEMBL9699443

CCOC(=O)CC1C[C@@H](COC)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.40
NR1H2 P55055 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
GLA P06280 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ATM Q13315 2/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL30064879 0.81 SRC (0.45) SRCNR1H2MEN1KMT2AL3MBTL1
SCHEMBL19943156 0.81 NR1H2 (0.40) SRCNR1H2CYP1A2POLBCYP3A4
SCHEMBL8145885 0.80 NR1H2 (0.38) SRCNR1H2MEN1KMT2AL3MBTL1
SCHEMBL25557523 0.79 NR1H2 (0.40) SRCNR1H2CYP1A2POLBCYP3A4
SCHEMBL16376318 0.78 NR1H2 (0.42) NR1H2MEN1KMT2ACYP1A2POLB
SCHEMBL28491555 0.77 NR1H2 (0.36) SRCNR1H2MEN1KMT2AL3MBTL1
SCHEMBL28502069 0.77 NR1H2 (0.36) SRCNR1H2MEN1KMT2AL3MBTL1
SCHEMBL30543805 0.77 BRD4 (0.40) SRCNR1H2CYP1A2POLBCYP3A4
SCHEMBL30543797 0.77 NR1H2 (0.46) SRCNR1H2MEN1KMT2ACYP1A2
SCHEMBL25957274 0.77 NR1H2 (0.46) SRCNR1H2MEN1KMT2ACYP1A2

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
WO-1992002521-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed