SCHEMBL5598774

SCHEMBL5598774

CCCCOCCOC(O)COCCCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 3/20 0.41
SPHK1 Q9NYA1 1/20 0.41
HSD17B10 Q99714 1/20 0.40
LPAR5 Q9H1C0 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
LPAR1 Q92633 6/20 0.38
LPAR3 Q9UBY5 6/20 0.38
LPAR2 Q9HBW0 3/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
LPAR6 P43657 2/20 0.35
LPAR4 Q99677 2/20 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
SCHEMBL28108582 1.00 TSHR (0.46) TSHRUSP2HTTMEN1THRB
Water SCHEMBL6661421 0.94 TSHR (0.45) TSHRUSP2HTTMEN1THRB
SCHEMBL8978429 0.91 USP2 (0.48) TSHRUSP2HTTCYP3A4SPHK1
SCHEMBL3911391 0.87 USP2 (0.51) USP2HTTMEN1THRBKMT2A
SCHEMBL11436017 0.86 TSHR (0.57) TSHRUSP2HTTMEN1THRB
SCHEMBL6544683 0.86 TSHR (0.57) TSHRUSP2HTTMEN1THRB
SCHEMBL212883 0.86 TSHR (0.57) TSHRUSP2HTTMEN1THRB
SCHEMBL1575700 0.86 TSHR (0.57) TSHRUSP2HTTMEN1THRB
SCHEMBL658828 0.86 TSHR (0.56) TSHRUSP2HTTMEN1THRB
SCHEMBL5477288 0.85 TSHR (0.48) 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
US-20070282041-A1 Composition for inhibiting formation of gas hydrates ISP INVESTMENTS INC. 2007-12-06 US disclosed