SCHEMBL4421706

SCHEMBL4421706

COC(C)(C)CCC(C)(C)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAOB P27338 1/20 0.37
SLC6A2 P23975 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPN1 P18031 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
LTA4H P09960 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL21327698 0.92 TSHR (0.48) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL6983502 0.86 TSHR (0.43) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL18525626 0.82 TSHR (0.43) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL21838058 0.81 TSHR (0.41) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL19829244 0.79 CETP (0.41) TSHRIDO1AGXTALDH1A1MAPK1
SCHEMBL5824702 0.78 TSHR (0.43) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL10660148 0.78 TSHR (0.39) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL19509051 0.78 ALDH1A1 (0.41) IDO1ALDH1A1SLC6A2TAAR1MAPT
SCHEMBL12879586 0.78 TSHR (0.46) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL3421331 0.78 TSHR (0.46) TSHRIDO1AGXTALDH1A1MAOB

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-7491773-B2 Halogenated polymers with new sequence distributions EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-02-17 US claimed