SCHEMBL27730451

SCHEMBL27730451

CC(N)C(O)C(O)CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
TRPA1 O75762 1/20 0.44
SPHK1 Q9NYA1 2/20 0.38
THRB P10828 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32
GABRG3 Q99928 2/20 0.32
GABRQ Q9UN88 2/20 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
SCHEMBL18666248 0.92 TRPV1 (0.42) TRPV1TRPA1SPHK1THRBGABRP
SCHEMBL3400627 0.83
SCHEMBL8133063 0.79 TRPV1 (0.39) TRPV1TRPA1SPHK1THRBGABRP
SCHEMBL1132328 0.79 TRPV1 (0.44) TRPV1TRPA1SPHK1
SCHEMBL16538719 0.79 TRPV1 (0.39) TRPV1TRPA1SPHK1THRBGABRP
SCHEMBL8655511 0.78 THRB (0.36) TRPV1TRPA1THRBALDH1A1TDP1
SCHEMBL18541628 0.78 THRB (0.36) TRPV1TRPA1THRBTDP1LMNA
SCHEMBL22321690 0.78 THRB (0.36) TRPV1TRPA1THRBTDP1LMNA
SCHEMBL283758 0.78 THRB (0.36) TRPV1TRPA1THRBALDH1A1TDP1
SCHEMBL3949692 0.78 THRB (0.36) TRPV1TRPA1THRBALDH1A1TDP1

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
CN-101233144-A Stable nad/nadh derivatives HOFFMANN LA ROCHE (CH) 2008-07-30 CN disclosed