SCHEMBL9704632

SCHEMBL9704632

CC=C(CC(=O)O)C(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.42
SRR Q9GZT4 1/20 0.42
TP53 P04637 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33

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
SCHEMBL1408207 0.79 LDHA (0.38) LDHASRRTP53CYP2D6CYP2C19
SCHEMBL2517722 0.79 LDHA (0.38) LDHASRRTP53CYP2D6CYP2C19
SCHEMBL8212718 0.76 LMNA (0.47) TP53SLC22A6LMNAGABRPGABRD
Malonic Acid SCHEMBL30288562 0.76 LDHA (0.64) LDHASRRTP53SLC22A6CYP2D6
SCHEMBL19044324 0.74 CYP1A2 (0.58) CYP2D6CYP2C19GABRPGABRDGABRA1
Malonic Acid SCHEMBL5996614 0.71 TP53 (0.69) LDHASRRTP53SLC22A6CYP2D6
Malonic Acid SCHEMBL5874737 0.71 LDHA (0.56) LDHASRRTP53SLC22A6CYP2D6
Malonic Acid SCHEMBL10430517 0.71 LDHA (0.56) LDHASRRTP53SLC22A6CYP2D6
Malonic Acid SCHEMBL22499636 0.69 LDHA (0.64) LDHASRRTP53CYP2D6CYP2C19
Malonic Acid SCHEMBL27964676 0.69 LDHA (0.64) LDHASRRTP53CYP2D6CYP2C19

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
EP-0192210-B1 CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-21 EP disclosed