SCHEMBL6938020

SCHEMBL6938020

O=C(OC(=O)c1cccc2c1-c1ccccc1-2)c1cccc2c1-c1ccccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
MAPT P10636 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPK10 P53779 2/20 0.51
PTK2B Q14289 2/20 0.51
NCOA1 Q15788 2/20 0.51
NCOA3 Q9Y6Q9 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL6937072 0.86 NPC1 (0.71) NPC1MAPTHTTALDH1A1LMNA
SCHEMBL6938522 0.86 KEAP1 (0.66) NPC1MAPTMEN1KMT2AMAPK10
SCHEMBL20695793 0.80 MAPT (0.53) NPC1MAPTMEN1KMT2AMAPK10
SCHEMBL21776920 0.79 MYC (0.58) NPC1MAPTMEN1KMT2AMAPK10
SCHEMBL2386152 0.79 ALDH1A1 (0.68) NPC1MAPTMEN1KMT2ANPSR1
SCHEMBL3616574 0.78 ALDH1A1 (0.74) NPC1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3616572 0.78 MAPT (0.52) NPC1MAPTMEN1KMT2AMAPK10
SCHEMBL31278212 0.78 ALDH1A1 (0.74) NPC1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2402121 0.77 ALDH1A1 (0.50) NPC1MAPTMEN1KMT2AMAPK10
SCHEMBL3605801 0.77 MAPT (0.50) NPC1MAPTMEN1KMT2AMAPK10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
CN-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 CN disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed
US-4764566-A HIGH STRENGTH ALLIED-SIGNAL INC. (US) 1988-08-16 US disclosed