SCHEMBL29540422

SCHEMBL29540422

O=C(O)CCCC(CC(O)CO)(CC(O)CO)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.38
LMNA P02545 3/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
TSHR P16473 2/20 0.36
NFKB1 P19838 2/20 0.36
PMP22 Q01453 1/20 0.36
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
GPR84 Q9NQS5 1/20 0.35
GABRR3 A8MPY1 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
HDAC3 O15379 1/20 0.32
GABBR2 O75899 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRR1 P24046 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
SCHEMBL10800123 0.93 TSHR (0.43) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL380176 0.93 TSHR (0.43) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL3501718 0.93 TSHR (0.43) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL3502848 0.93 TSHR (0.43) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL3503242 0.93 TSHR (0.43) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL3503244 0.93 TSHR (0.43) LMNASLC22A6TSHRNFKB1PMP22
Stearic Acid SCHEMBL1531462 0.85 FFAR4 (0.54) SLC22A6TSHRFFAR1FFAR4GPR84
SCHEMBL10774255 0.85 FFAR4 (0.41) LMNASLC22A6TSHRFFAR1FFAR4
SCHEMBL15642708 0.82 FFAR4 (0.54) SLC22A6TSHRFFAR1FFAR4GPR84
SCHEMBL8680832 0.82 FFAR4 (0.54) SLC22A6TSHRFFAR1FFAR4GPR84

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
JP-2022049821-A Hair cosmetics クラシエホームプロダクツ株式会社 2022-03-30 JP disclosed