SCHEMBL6940608

SCHEMBL6940608

CC(F)CCCC(=O)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
KMT2A Q03164 7/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
CYP19A1 P11511 1/20 0.41
ELANE P08246 1/20 0.41
HPGD P15428 1/20 0.40
TRAP1 Q12931 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL2170541 0.87 PRSS1 (0.51) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL27490729 0.83 ALDH1A1 (0.49) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL2292810 0.82 PRSS1 (0.54) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL27314977 0.81 PRSS1 (0.53) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL2294567 0.81 PRSS1 (0.56) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL9410807 0.81 PRSS1 (0.52) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL44568 0.80 PRSS1 (0.62) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL43233 0.80 PRSS1 (0.67) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL2987920 0.80 PRSS1 (0.51) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL666850 0.80 ALDH1A1 (0.48) PRSS1PRSS2PRSS3EGFRERBB2

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 4 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