SCHEMBL23058147

SCHEMBL23058147

CCCCN(C(C)c1ccc(CO)cc1)[C@@H](C)CC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.32
PRKCA P17252 1/20 0.31
PRKCD Q05655 1/20 0.31
ALOX5 P09917 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CSF1R P07333 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
EGFR P00533 1/20 0.31
CNR2 P34972 2/20 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
SCHEMBL23058148 0.85 MAPT (0.35) THRATHRBMAPT
SCHEMBL23058181 0.78 PDE2A (0.39) SLC6A3
SCHEMBL23058476 0.78 NPSR1 (0.36) MAPTCNR2
SCHEMBL23058643 0.78 CHRM2 (0.36) THRATHRBALOX5ESR1ESR2
SCHEMBL23058713 0.77 GAA (0.32)
SCHEMBL23058746 0.76 L3MBTL1 (0.44) MAPTSLC6A2SLC6A3
SCHEMBL23058793 0.72 LMNA (0.38)
SCHEMBL12111408 0.72 ESR1 (0.41) PRKCAPRKCDESR1ESR2SLC6A2
SCHEMBL23718452 0.71 AOC3 (0.36) MAPTSLC6A2SLC6A3
SCHEMBL7770556 0.70 DNM1 (0.32) THRB

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-2021041588-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-04 WO disclosed