SCHEMBL31154516

SCHEMBL31154516

N[C@H](C(=O)O)C(O)CC(=O)O.O=C(O)CC(O)CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.59
GABRR1 P24046 2/20 0.50
LMNA P02545 1/20 0.50
USP2 O75604 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC7A5 Q01650 1/20 0.37
GPR84 Q9NQS5 4/20 0.36

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
SCHEMBL300199 0.93 USP2 (0.48) SLC22A6GABRR1LMNAUSP2SLCO1B1
SCHEMBL300200 0.93 USP2 (0.48) SLC22A6GABRR1LMNAUSP2SLCO1B1
SCHEMBL13497176 0.93 USP2 (0.48) SLC22A6GABRR1LMNAUSP2SLCO1B1
SCHEMBL28410409 0.93 USP2 (0.48) SLC22A6GABRR1LMNAUSP2SLCO1B1
SCHEMBL31527767 0.93 USP2 (0.48) SLC22A6GABRR1LMNAUSP2SLCO1B1
Ethane SCHEMBL10712982 0.88 USP2 (0.45) SLC22A6GABRR1LMNAUSP2SLCO1B1
SCHEMBL4713869 0.79 USP2 (0.56) SLC22A6GABRR1LMNAUSP2SLCO1B1
SCHEMBL112368 0.77 SLC22A6 (1.00) SLC22A6GABRR1LMNASMN1; SMN2MAPT
SCHEMBL30496763 0.77 SLC22A6 (1.00) SLC22A6GABRR1LMNASMN1; SMN2MAPT
SCHEMBL2273513 0.76 USP2 (0.46) USP2SLCO1B1SMN1; SMN2MEN1CYP2D6

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-118995783-A Gene recombination engineering strain with malonyl coenzyme A synthesis path using L-glutamic acid as substrate and application thereof 广东以色列理工学院 2024-11-22 CN disclosed