SCHEMBL26045337

SCHEMBL26045337

CC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(NC[C@H]2CNc3[nH]c(N)nc(=O)c3N2C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTHFD1 P11586 3/20 0.60
DHFR P00374 2/20 0.58
SOST Q9BQB4 1/20 0.52
LMNA P02545 1/20 0.50
MTHFD2 P13995 3/20 0.47
FPGS Q05932 2/20 0.47
ATIC P31939 4/20 0.44
TYMS P04818 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
AKR1B1 P15121 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
PTGS2 P35354 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
Levomefolic Acid SCHEMBL16490221 0.94 MTHFD1 (0.68) MTHFD1DHFRSOSTLMNAMTHFD2
Levomefolic Acid SCHEMBL7953180 0.94 MTHFD1 (0.68) MTHFD1DHFRSOSTLMNAMTHFD2
Levomefolic Acid SCHEMBL16466806 0.94 MTHFD1 (0.68) MTHFD1DHFRSOSTLMNAMTHFD2
Levomefolic Acid SCHEMBL79586 0.94 MTHFD1 (0.68) MTHFD1DHFRSOSTLMNAMTHFD2
Levomefolic Acid SCHEMBL20440869 0.94 MTHFD1 (0.68) MTHFD1DHFRSOSTLMNAMTHFD2
Levomefolic Acid SCHEMBL3442396 0.94 MTHFD1 (0.67) MTHFD1DHFRSOSTLMNAMTHFD2
SCHEMBL25849429 0.91 MTHFD1 (0.60) MTHFD1DHFRSOSTLMNAMTHFD2
SCHEMBL17931045 0.88 MTHFD1 (0.59) MTHFD1DHFRSOSTLMNAMTHFD2
SCHEMBL21217082 0.87 MTHFD1 (0.53) MTHFD1DHFRSOSTLMNAMTHFD2
Levomefolic Acid SCHEMBL29366440 0.87 LMNA (0.66) MTHFD1DHFRSOSTLMNAMTHFD2

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
US-20230272442-A1 5-METHYLFOLATE PRODUCING MICROORGANISM CHIFENG PHARMACEUTICAL CO., LTD. (CN) 2023-08-31 US disclosed