SCHEMBL7975140

SCHEMBL7975140

CCOC(=O)Cn1ncc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.44
HPGDS O60760 2/20 0.44
MAPT P10636 2/20 0.44
NR1H2 P55055 2/20 0.43
ADORA1 P30542 1/20 0.42
SLC34A1 Q06495 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDK2 Q15119 1/20 0.36
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL7988322 0.91 ESR2 (0.47) ESR2HPGDSMAPTNR1H2ADORA1
SCHEMBL7986367 0.86 ESR2 (0.47) ESR2HPGDSMAPTNR1H2ADORA1
SCHEMBL30171269 0.83 ESR2 (0.48) ESR2HPGDSMAPTNR1H2ADORA1
SCHEMBL1881390 0.82 ESR2 (0.47) ESR2HPGDSMAPTNR1H2ADORA1
SCHEMBL5777653 0.80 ESR2 (0.46) ESR2HPGDSMAPTNR1H2SLC34A1
SCHEMBL20792551 0.78 MAPT (0.53) ESR2HPGDSMAPTNR1H2SLC34A1
SCHEMBL7988759 0.78 KMT2A (0.50) ESR2MAPTNR1H2ADORA1SMN1; SMN2
SCHEMBL7992630 0.78 ADORA1 (0.46) ESR2MAPTNR1H2ADORA1MAPK1
SCHEMBL16217166 0.78 ESR2 (0.52) ESR2HPGDSMAPTNR1H2ADORA1
SCHEMBL7989185 0.77 ESR2 (0.50) ESR2MAPTNR1H2ADORA1MAPK1

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed