SCHEMBL6898848

SCHEMBL6898848

CCOc1cccc2sc(Sc3nc4c(OCC)cccc4s3)nc12

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
KMT2A Q03164 7/20 0.61
MAPT P10636 5/20 0.61
MEN1 O00255 5/20 0.61
KDM4E B2RXH2 4/20 0.61
MAPK1 P28482 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
PKM P14618 1/20 0.61
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
DUSP3 P51452 1/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 3/20 0.46
LMNA P02545 2/20 0.44
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAD52 P43351 2/20 0.40

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
SCHEMBL6689165 0.91 ALDH1A1 (0.66) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL8634248 0.88 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6899949 0.87 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6692259 0.84 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6693674 0.82 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6899691 0.82 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6661729 0.81 ALDH1A1 (0.69) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL3455462 0.79 TDP1 (0.69) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6689028 0.79 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6690900 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945482-B1 Rubber composition for tire tread and pneumatic tire using same BRIDGESTONE CORP (JP) 2004-01-28 EP disclosed
US-6242522-B1 A DIENE BASED SYNTHETIC RUBBER OR NATURAL RUBBER BLEND CONTAINING BUTADIENE-STYRENE RUBBER, ALUMINUM HYDROXIDE POWDER, SILICA POWDER, CARBON BLACK; LOW FUEL CONSUMPTION AND WEAR RESISTANCE; IMPROVED GRIPPING IN WET AND COLD SITUATIONS BRIDGESTONE CORPORATION (JP) 2001-06-05 US disclosed
EP-0948029-A2 High pressure discharge lamp NGK INSULATORS, LTD. (JP) 1999-10-06 EP disclosed