SCHEMBL31070280

SCHEMBL31070280

O=C(O)CCCOOCCCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
SLC22A6 Q4U2R8 2/20 0.59
TSHR P16473 5/20 0.56
NFKB1 P19838 2/20 0.56
PMP22 Q01453 1/20 0.56
ALDH1A1 P00352 2/20 0.50
CAMK2A Q9UQM7 1/20 0.50
GABRR3 A8MPY1 1/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
HDAC3 O15379 1/20 0.48
GABBR2 O75899 1/20 0.48
CYP1A2 P05177 1/20 0.48
THRB P10828 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRR1 P24046 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRR2 P28476 1/20 0.48

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
SCHEMBL28881161 0.91 LMNA (0.65) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL29010718 0.88 TSHR (0.67) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL9722744 0.88 TSHR (0.67) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL30462352 0.88 TSHR (0.67) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL30965304 0.88 TSHR (0.67) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL15234423 0.87 AKR1B1 (0.48) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL23829823 0.84 LMNA (0.48) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL10140878 0.84
Valeric Acid SCHEMBL8948217 0.82 AKR1B1 (0.61) LMNASLC22A6TSHRALDH1A1HDAC3
SCHEMBL444378 0.81 TSHR (0.62) LMNASLC22A6TSHRNFKB1PMP22

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
CN-118693319-B Flow battery based on high-concentration iron electrolyte stabilized by recovered lithium ions 长沙理工大学 2024-12-20 CN disclosed
CN-118693319-A Flow battery based on high-concentration iron electrolyte stabilized by recovered lithium ions 长沙理工大学 2024-09-24 CN disclosed