SCHEMBL7589790

SCHEMBL7589790

CCC(Br)C(=O)CCCC(=O)C(C)SCc1ccco1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 12/20 0.35
POLB P06746 5/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 5/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 4/20 0.34
GAA P10253 2/20 0.34
MAOB P27338 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTPN7 P35236 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL7589787 0.83 ALDH1A1 (0.37) TSHRALDH1A1POLBHPGDMAPT
SCHEMBL7591418 0.81 ALDH1A1 (0.39) TSHRALDH1A1POLBHPGDMAPT
SCHEMBL7592515 0.80 TSHR (0.42) TSHRALDH1A1POLBHPGDMAPT
SCHEMBL7591422 0.80 ALDH1A1 (0.36) TSHRALDH1A1POLBHPGDMAPT
SCHEMBL7589709 0.74 ALDH1A1 (0.47) TSHRALDH1A1POLBHPGDMAPT
SCHEMBL1641497 0.74 TSHR (0.48) TSHRALDH1A1POLBHPGDMAPT
SCHEMBL14861563 0.71 ALDH1A1 (0.53) TSHRALDH1A1POLBHPGDMAPT
SCHEMBL7590034 0.69 ALDH1A1 (0.45) TSHRALDH1A1POLBHPGDMAPT
SCHEMBL10528046 0.69 TSHR (0.46) TSHRALDH1A1POLBHPGDMAPT
SCHEMBL25385023 0.67 ALDH1A1 (0.46) TSHRALDH1A1POLBHPGDMAPT

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