SCHEMBL9923613

SCHEMBL9923613

O=C(/C=C/Sc1ccccc1)Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 3/20 0.58
NPSR1 Q6W5P4 3/20 0.58
HPGD P15428 3/20 0.58
PLIN1 O60240 1/20 0.58
HTT P42858 1/20 0.58
PLIN5 Q00G26 1/20 0.58
ABHD5 Q8WTS1 1/20 0.58
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MAOB P27338 3/20 0.44
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR1A P08908 1/20 0.42
HSD17B10 Q99714 2/20 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
SCHEMBL9923615 1.00 MAPT (0.58) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL15349969 0.90 LMNA (0.51) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL15349972 0.90 LMNA (0.51) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL11444360 0.81 ALDH1A1 (0.58) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL3037199 0.81 ALDH1A1 (0.58) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL356194 0.80 HPGD (0.57) MAPTHPGDKMT2AMEN1MAOB
SCHEMBL356193 0.80 HPGD (0.57) MAPTHPGDKMT2AMEN1MAOB
SCHEMBL1249384 0.80 HPGD (0.57) MAPTHPGDKMT2AMEN1MAOB
SCHEMBL28747364 0.79 ALDH1A1 (0.54) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL600478 0.78 ALDH1A1 (0.68) MAPTALDH1A1LMNANPSR1HPGD

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
US-8859698-B2 Sulfur-containing macromolecules and methods for their preparation THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2014-10-14 US disclosed
US-8859698-B2 Sulfur-containing macromolecules and methods for their preparation THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2014-10-14 US disclosed
US-20120148958-A1 SULFUR-CONTAINING MACROMOLECULES AND METHODS FOR THEIR PREPARATION THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2012-06-14 US disclosed
US-20120148958-A1 SULFUR-CONTAINING MACROMOLECULES AND METHODS FOR THEIR PREPARATION THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2012-06-14 US disclosed
WO-2011020287-A1 SULFUR-CONTAINING MACROMOLECULES AND METHODS FOR THEIR PREPARATION THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2011-02-24 WO disclosed