SCHEMBL28549436

SCHEMBL28549436

O=c1oc(P)cc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.56
MITF O75030 1/20 0.50
ALOX5 P09917 3/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
TYMP P19971 1/20 0.46
HTT P42858 1/20 0.44
NQO1 P15559 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL19583424 0.78 PTGES (0.78) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL295233 0.75 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL295232 0.75 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL3000739 0.75 MITF (0.59) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL1649762 0.75 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL31661103 0.75 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL6449120 0.75 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL31604207 0.75 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL21058262 0.75 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL6827276 0.72 PTGES (1.00) PTGESMITFALOX5ALDH1A1HPGD

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-111995642-A Preparation method of phosphine isocoumarin 江汉大学 2020-11-27 CN disclosed