Phosphine

Phosphine

SCHEMBL28291068

CCCCCCCCCCCCCCc1c(CCCCCC)coc1C(=O)O.P

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
PPARA Q07869 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
PPARG P37231 2/20 0.43
SAE1 Q9UBE0 2/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
GPR35 Q9HC97 6/20 0.40
RARB P10826 4/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RARA P10276 1/20 0.39
MTOR P42345 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL28292554 0.84 GABRP (0.38) BIDMCL1PPARABCL2L1BAK1
SCHEMBL28993973 0.83 BID (0.51) BIDMCL1PPARABCL2L1BAK1
SCHEMBL28994451 0.81 BID (0.49) BIDMCL1PPARABCL2L1BAK1
SCHEMBL27764780 0.80 THRA (0.35) BIDMCL1PPARABCL2L1BAK1
SCHEMBL12477522 0.76 BID (0.43) BIDMCL1PPARABCL2L1BAK1
SCHEMBL16553812 0.74 GPR35 (0.43) BIDMCL1BCL2L1BAK1GPR35
SCHEMBL12477777 0.74 GPR35 (0.43) BIDMCL1BCL2L1BAK1GPR35
SCHEMBL12477107 0.74 GPR35 (0.43) BIDMCL1BCL2L1BAK1GPR35
SCHEMBL12477135 0.74 GPR35 (0.43) BIDMCL1BCL2L1BAK1GPR35
SCHEMBL8516803 0.74 BID (0.49) BIDMCL1PPARABCL2L1BAK1

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
CN-109569196-A A kind of sulfur dioxide gas absorbent 刘紫岩 2019-04-05 CN disclosed