SCHEMBL7473933

SCHEMBL7473933

COC(=O)C(C)OC(=O)COc1ccc(Cn2c(=O)cc(C(F)(F)F)n(C)c2=O)c(Cl)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RX3 P56373 6/20 0.32
CMA1 P23946 1/20 0.30
RORC P51449 1/20 0.30
HSD17B13 Q7Z5P4 1/20 0.30
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7472616 0.88 P2RX3 (0.34) POLBP2RX3CMA1HSD17B13
SCHEMBL7476618 0.84 ACLY (0.37) POLBMEN1LMNAKMT2ACMA1
SCHEMBL7472788 0.84 RORC (0.42) TDP1MEN1LMNAKMT2ARORC
SCHEMBL7476563 0.84 LMNA (0.36) POLBMEN1LMNAKMT2ACMA1
SCHEMBL7468861 0.80 PPARG (0.35) MEN1LMNAKMT2AP2RX3CMA1
SCHEMBL7471410 0.80 PPARG (0.33) LMNAP2RX3CMA1HSD17B13
SCHEMBL7470266 0.80 P2RX3 (0.32) P2RX3
SCHEMBL7470272 0.80 P2RX3 (0.32) P2RX3
SCHEMBL7470706 0.79 P2RX3 (0.39) P2RX3
SCHEMBL7466593 0.78 RAB9A (0.34) P2RX3

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
EP-0891336-B1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AG (DE) 2002-06-05 EP disclosed