SCHEMBL9117710

SCHEMBL9117710

CCCCOCCCC(O)CC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
USP2 O75604 1/20 0.44
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
LPAR5 Q9H1C0 1/20 0.37
GPR84 Q9NQS5 4/20 0.36
FFAR4 Q5NUL3 1/20 0.35
FFAR1 O14842 1/20 0.35
SPHK1 Q9NYA1 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
SCHEMBL11521327 0.93 USP2 (0.39) TSHRUSP2HTTMEN1THRB
SCHEMBL4201207 0.91 TSHR (0.50) TSHRUSP2HTTMEN1THRB
SCHEMBL16384881 0.86 TSHR (0.50) TSHRUSP2HTTMEN1THRB
Hexan-3-Ol SCHEMBL28353622 0.84 USP2 (0.52) TSHRUSP2HTTMEN1THRB
SCHEMBL10970630 0.84 USP2 (0.52) TSHRUSP2HTTMEN1THRB
SCHEMBL17658853 0.84 TSHR (0.54) TSHRUSP2HTTMEN1THRB
SCHEMBL7764126 0.84 FFAR4 (0.50) TSHRUSP2HTTMEN1THRB
SCHEMBL216630 0.84 ALDH1A1 (0.40) TSHRUSP2HTTCYP3A4CYP1A2
SCHEMBL4454453 0.83 USP2 (0.55) TSHRUSP2HTTMEN1THRB
SCHEMBL15007063 0.82 TSHR (0.50) TSHRUSP2HTTMEN1THRB

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
WO-1995020024-A1 DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1995-07-27 WO disclosed