SCHEMBL4861035

SCHEMBL4861035

CC(C)(CO)COB(O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TRPV1 Q8NER1 2/20 0.35
HTT P42858 2/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
DGAT1 O75907 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCC4 O15439 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL121398 0.90 DGAT1 (0.36) DGAT1TSHRALDH1A1HPGD
SCHEMBL14312208 0.89 CA2 (0.40) MGLLCA1CA2TRPV1TSHR
SCHEMBL532798 0.84 DGAT1 (0.32) DGAT1
SCHEMBL14312139 0.83 LPL (0.38) MGLLCA1CA2TRPV1TSHR
SCHEMBL17221793 0.81 ORAI1 (0.39)
1-Heptanol SCHEMBL6701761 0.79 PCSK9 (0.40) MGLLTRPV1HTTLMNATSHR
SCHEMBL20491586 0.75 MGLL (0.50) MGLLCA1CA2TRPV1HTT
SCHEMBL14659948 0.74 NUDT1 (0.31)
SCHEMBL5968332 0.74 GSK3B (0.43) LMNAALDH1A1
SCHEMBL2112250 0.73 CHRNB2 (0.33) LMNAALDH1A1

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-7416791-B1 Osmium complexes and related organic light-emitting devices UNIVERSITY OF WASHINGTON (US) 2008-08-26 US disclosed