SCHEMBL22069484

SCHEMBL22069484

C=Cc1ccc([P](=O)c2ccccc2C(=O)c2c(C)cc(C)cc2C)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
CRHR1 P34998 3/20 0.31
ABCB1 P08183 1/20 0.31
NFE2L2 Q16236 1/20 0.31
MCL1 Q07820 2/20 0.31
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
PTGS2 P35354 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
SCHEMBL3685865 0.83 KMT2A (0.43) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL29435246 0.83 KMT2A (0.43) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL4520122 0.77 KMT2A (0.38) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL28050538 0.76 NFE2L2 (0.40) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL29025129 0.72 METAP2 (0.33) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL30568742 0.72 ALDH1A1 (0.38) KMT2ASMN1; SMN2
SCHEMBL7182214 0.72 HPGD (0.42) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL1138268 0.72 KMT2A (0.43) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL29885738 0.72 KMT2A (0.40) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL9874808 0.72 KMT2A (0.40) KMT2AMEN1HPGDLMNASMN1; SMN2

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-3402829-B1 SILICONE-COMPATIBLE COMPOUNDS Henkel IP & Holding GmbH (DE) 2020-06-17 EP disclosed