SCHEMBL28754348

SCHEMBL28754348

C[C@H](Nc1cc(C(=O)O)ccc1N)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.45
LDHB P07195 1/20 0.45
KDM4E B2RXH2 6/20 0.42
GAA P10253 6/20 0.42
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
THRB P10828 3/20 0.42
HPGD P15428 3/20 0.42
GFER P55789 2/20 0.42
HTT P42858 1/20 0.42
PLEC Q15149 1/20 0.42
LNPEP Q9UIQ6 2/20 0.41
ERAP2 Q6P179 1/20 0.41
HSD17B10 Q99714 3/20 0.41
POLB P06746 1/20 0.41
NR4A1 P22736 1/20 0.41
EP300 Q09472 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL28754338 1.00 LDHA (0.45) LDHALDHBKDM4EGAAMAPT
SCHEMBL28754339 1.00 LDHA (0.45) LDHALDHBKDM4EGAAMAPT
SCHEMBL29825286 0.86 HDAC1 (0.48) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL29825057 0.86 HDAC1 (0.48) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL23287052 0.86 HDAC1 (0.48) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL23287053 0.86 HDAC1 (0.48) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL23286970 0.86 HDAC1 (0.48) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL29668610 0.84 CDC25B (0.39) KDM4EGAAMAPTALDH1A1THRB
SCHEMBL2425185 0.83 LDHA (0.41) LDHALDHBKDM4EMAPTALDH1A1
SCHEMBL6187233 0.82 HCAR3 (0.55) KDM4EGAAMAPTALDH1A1THRB

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-114630823-A GLP-1R modulating compounds 吉利德科学公司 2022-06-14 CN disclosed