SCHEMBL5551877

SCHEMBL5551877

CCCC(C)(Br)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
IDO1 P14902 1/20 0.39
TP53 P04637 1/20 0.38
AGXT P21549 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SLC6A2 P23975 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
CETP P11597 3/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL18525626 0.82 TSHR (0.43) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL14000911 0.82 TSHR (0.43) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL11985625 0.79 TSHR (0.40) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL16587991 0.79 TSHR (0.40) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL7028944 0.78 TSHR (0.43) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL7023744 0.77 TSHR (0.50) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL19829244 0.76 CETP (0.41) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL29128959 0.76 TSHR (0.40) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL21327698 0.75 TSHR (0.48) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL8711753 0.75 TSHR (0.36) TSHRIDO1TP53AGXTALDH1A1

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-1827501-A2 STABILIZED POLYMERIC THIOL REAGENTS Nektar Therapeutics Al, Corporation (US) 2007-09-05 EP disclosed
WO-2006069388-A2 STABILIZED POLYMERIC THIOL REAGENTS NEKTAR THERAPEUTICS AL, CORPORATION (US) 2006-06-29 WO disclosed