SCHEMBL21111136

SCHEMBL21111136

Cc1cc(C)c(C(=O)P(C[N+](C)(C)C)C(=O)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
ALDH1A1 P00352 5/20 0.36
GAA P10253 2/20 0.36
CRHR1 P34998 3/20 0.35
MAPT P10636 3/20 0.34
MAPK1 P28482 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33

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
Trifluoromethanesulfonic Acid SCHEMBL15637718 0.85 FFAR4 (0.32) KMT2ALMNAHPGDMEN1SMN1; SMN2
SCHEMBL1037184 0.77 LMNA (0.38) KMT2ALMNAHPGDMEN1SMN1; SMN2
SCHEMBL1034997 0.76 KDM4E (0.40) KMT2ALMNAHPGDMEN1SMN1; SMN2
SCHEMBL5566593 0.74 HPGD (0.39) KMT2ALMNAHPGDMEN1SMN1; SMN2
SCHEMBL12956434 0.74 LMNA (0.40) KMT2ALMNAHPGDMEN1SMN1; SMN2
SCHEMBL15637944 0.74 SMN1; SMN2 (0.39) KMT2ALMNAHPGDMEN1SMN1; SMN2
SCHEMBL1035040 0.74 CRHR1 (0.38) KMT2ALMNAHPGDMEN1SMN1; SMN2
SCHEMBL1034531 0.73 MEN1 (0.35) KMT2ALMNAHPGDMEN1SMN1; SMN2
SCHEMBL20636994 0.73 NPSR1 (0.40) KMT2ALMNAHPGDMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL15637577 0.72 MAPT (0.49) LMNASMN1; SMN2L3MBTL1GAAMAPT

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-3508489-A1 A PROCESS FOR THE PREPARATION OF ACYLPHOSPHANES ETH Zürich (CH) 2019-07-10 EP disclosed