SCHEMBL8900335

SCHEMBL8900335

CC(C)(C)c1cc(CCBr)cc(C(C)(C)C)c1S

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
GAA P10253 4/20 0.34
ALDH1A1 P00352 5/20 0.33
TSHR P16473 3/20 0.33
MAPK1 P28482 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 2/20 0.32
BLM P54132 2/20 0.32
ATM Q13315 2/20 0.32
HIF1A Q16665 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALOX15 P16050 2/20 0.32

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
SCHEMBL8901066 0.86 GAA (0.34) KMT2AMEN1GAAALDH1A1TSHR
SCHEMBL8900529 0.79 ALDH1A1 (0.41) KMT2AMEN1GAAALDH1A1TSHR
SCHEMBL4593788 0.79 ALDH1A1 (0.55) KMT2AMEN1GAAALDH1A1TSHR
SCHEMBL11853280 0.78 HSPA5 (0.39) KMT2AMEN1GAAALDH1A1TSHR
SCHEMBL7758054 0.78 NPC1 (0.42) KMT2AGAATSHRMAPK1SMN1; SMN2
SCHEMBL8900888 0.76 TNKS2 (0.40) KMT2AMEN1GAAALDH1A1TSHR
SCHEMBL17309878 0.76 PTGS2 (0.47) ALDH1A1MAPK1LMNAKDM4EHPGD
SCHEMBL28177142 0.73 GAA (0.47) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL28007831 0.71 MEN1 (0.42) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL5692042 0.71 ESR1 (0.34) KMT2AMEN1GAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688822-A ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIALLERGEN G.D. SEARLE & CO. (US) 1997-11-18 US disclosed