SCHEMBL4860520

SCHEMBL4860520

C=C(C)C(=O)SCCSc1ccc(SCCSC(=O)C(=C)C)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.33
LMNA P02545 3/20 0.31
PKM P14618 3/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4853118 0.76 PTGS2 (0.36) SMN1; SMN2
SCHEMBL4860538 0.74 RAB9A (0.33) SMN1; SMN2
SCHEMBL3674938 0.74 CA2 (0.41) LMNAPKMALDH1A1
SCHEMBL23051186 0.71 HPGD (0.36) LMNAPKMHPGDSMN1; SMN2KDM4E
SCHEMBL714832 0.70 TDP1 (0.38) ALDH1A1TDP1
SCHEMBL7789753 0.68 MCL1 (0.40) HPGDSMN1; SMN2ALDH1A1
SCHEMBL26193082 0.66 MTNR1A (0.37) LMNAPKMHPGDSMN1; SMN2KDM4E
SCHEMBL24522661 0.65 NQO1 (0.40) LMNAHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL16170333 0.65 MCL1 (0.30)
SCHEMBL16170586 0.65 MCL1 (0.30)

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
US-7338984-B2 Resin composition containing ultrafine inorganic particle MITSUI CHEMICALS, INC. (JP) 2008-03-04 US disclosed
EP-1544220-B1 RESIN COMPOSITION CONTAINING ULTRAFINE INORGANIC PARTICLE MITSUI CHEMICALS INC (JP) 2007-01-10 EP disclosed
US-20050261406-A1 Resin composition containing ultrafine inorganic particle MITSUI CHEMICALS, INC. (JP) 2005-11-24 US disclosed
EP-1544220-A1 RESIN COMPOSITION CONTAINING ULTRAFINE INORGANIC PARTICLE Mitsui Chemicals, Inc. (JP) 2005-06-22 EP disclosed