SCHEMBL7595302

SCHEMBL7595302

CC(=O)CCSCc1ccco1.CC=CC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.45
MAPT P10636 9/20 0.45
POLB P06746 6/20 0.45
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 5/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
PTPN7 P35236 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL7589801 0.89 ALDH1A1 (0.54) ALDH1A1MAPTPOLBTDP1HPGD
SCHEMBL1641498 0.75 TSHR (0.56) ALDH1A1MAPTPOLBTDP1HPGD
SCHEMBL8186141 0.75 ALDH1A1 (0.51) ALDH1A1MAPTPOLBTDP1HPGD
SCHEMBL11334227 0.74 ALDH1A1 (0.58) ALDH1A1MAPTPOLBTDP1HPGD
SCHEMBL9190764 0.73 POLB (0.55) ALDH1A1MAPTPOLBTDP1HPGD
SCHEMBL1532451 0.71 ALDH1A1 (0.55) ALDH1A1MAPTPOLBTDP1HPGD
SCHEMBL8440662 0.71 ALDH1A1 (0.60) ALDH1A1MAPTPOLBTDP1HPGD
SCHEMBL7595305 0.69 ALDH1A1 (0.39) ALDH1A1MAPTPOLBTDP1HPGD
SCHEMBL28653248 0.69 TSHR (0.52) ALDH1A1MAPTPOLBTDP1HPGD
SCHEMBL6130008 0.68 ALDH1A1 (0.57) ALDH1A1MAPTPOLBTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811618-B1 Furfurylthioalkanes, process for their preparation and use thereof HAARMANN & REIMER GMBH (DE) 2002-10-23 EP disclosed
EP-0811618-A1 Furfurylthioalkanes, process for their preparation and use thereof HAARMANN & REIMER GMBH (DE) 1997-12-10 EP disclosed