SCHEMBL30940446

SCHEMBL30940446

CC(C(=O)O)c1c(O)c(O)c(O)c(O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
PTGS2 P35354 6/20 0.37
LDHA P00338 2/20 0.35
LDHB P07195 2/20 0.35
PTGS1 P23219 5/20 0.34
ALB P02768 4/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
AKR1C3 P42330 2/20 0.34
CXCR1 P25024 2/20 0.34
CXCR2 P25025 2/20 0.34
ESR1 P03372 1/20 0.34
ALOX5 P09917 1/20 0.34
RARB P10826 1/20 0.34
ADRB3 P13945 1/20 0.34
NFKB1 P19838 1/20 0.34
HTR2A P28223 1/20 0.34
NR1I3 Q14994 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
CXCL8 P10145 1/20 0.34

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
Lithium Ion SCHEMBL30940427 0.74 LMNA (0.31) LMNACYP2C9TSHR
Potassium Ion SCHEMBL30940409 0.74 LMNA (0.31) LMNACYP2C9TSHR
SCHEMBL30940430 0.74 TSHR (0.34) LMNACYP2C9NFKB1TSHR
SCHEMBL23352172 0.70 PTGS2 (0.45) TP53PTGS2PTGS1ALBLMNA
SCHEMBL12481055 0.70 PTGS2 (0.32) TP53PTGS2PTGS1ALBLMNA
SCHEMBL2927800 0.70 TP53 (0.36) TP53PTGS2PTGS1ALBLMNA
SCHEMBL27589938 0.69 PTGS2 (0.42) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL19730500 0.65 LDHA (0.37) TP53LDHALDHBPTGS1ALB
Iodide SCHEMBL2183008 0.64
SCHEMBL59197 0.63 PTGS2 (0.74) PTGS2PTGS1ALBLMNACYP2C9

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-118367119-A Organic matter modified carbon-based negative electrode material and manufacturing method thereof 贵州创德新能源科技有限公司 2024-07-19 CN claimed
CN-118367119-A Organic matter modified carbon-based negative electrode material and manufacturing method thereof 贵州创德新能源科技有限公司 2024-07-19 CN disclosed