SCHEMBL5450327

SCHEMBL5450327

CC1(C)CC(C(CCCCCC(=O)O)(C(=O)O)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.34
LMNA P02545 2/20 0.34
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
GPR84 Q9NQS5 7/20 0.33
PPARG P37231 7/20 0.33
PPARD Q03181 7/20 0.33
PPARA Q07869 7/20 0.33
HDAC11 Q96DB2 5/20 0.33
PTPN1 P18031 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 0.33
TBXAS1 P24557 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
ALOX15 P16050 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
SCHEMBL316765 1.00 TSHR (0.34) TSHRLMNANFKB1PMP22GPR84
SCHEMBL5453694 1.00 TSHR (0.34) TSHRLMNANFKB1PMP22GPR84
SCHEMBL5448887 1.00 TSHR (0.34) TSHRLMNANFKB1PMP22GPR84
Hydrochloric Acid SCHEMBL5996855 0.99 TBXAS1 (0.35) TSHRLMNANFKB1PMP22GPR84
SCHEMBL5458895 0.99 LMNA (0.32) TSHRLMNANFKB1PMP22GPR84
SCHEMBL316373 0.94 GAA (0.30)
SCHEMBL9589736 0.91 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9466511 0.89 TSHR (0.34) TSHRLMNANFKB1PMP22GPR84
SCHEMBL34980 0.89 TSHR (0.34) TSHRLMNANFKB1PMP22GPR84
SCHEMBL5448838 0.88 MEN1 (0.33) ALDH1A1MEN1KMT2A

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
US-20070287651-A1 Bleaching compositions THE PROCTER & GAMBLE COMPANY 2007-12-13 US disclosed
US-20060183657-A1 Bleaching composition comprising a cyclic hindered amine THE PROCTER & GAMBLE COMPANY (US) 2006-08-17 US disclosed