SCHEMBL29658794

SCHEMBL29658794

C[C@@](Cc1ccc(O)c(O)c1)(NC(N)=O)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.74
KDM4E B2RXH2 5/20 0.74
MAPT P10636 5/20 0.74
TDP1 Q9NUW8 4/20 0.74
HPGD P15428 4/20 0.74
ALOX15 P16050 4/20 0.74
POLB P06746 3/20 0.74
ALDH1A1 P00352 3/20 0.74
CYP1A2 P05177 3/20 0.74
LMNA P02545 3/20 0.74
THPO P40225 3/20 0.74
CYP3A4 P08684 2/20 0.74
MAPK1 P28482 2/20 0.74
ALOX12 P18054 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
BLM P54132 4/20 0.61
GAA P10253 2/20 0.61
APEX1 P27695 2/20 0.61
PMP22 Q01453 2/20 0.61
USP2 O75604 2/20 0.61

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
SCHEMBL28760511 1.00 HSD17B10 (0.74) HSD17B10KDM4EMAPTTDP1HPGD
SCHEMBL28760507 1.00 HSD17B10 (0.74) HSD17B10KDM4EMAPTTDP1HPGD
SCHEMBL11654746 0.86 HSD17B10 (0.70) HSD17B10KDM4EMAPTTDP1HPGD
SCHEMBL10728310 0.85 HSD17B10 (0.69) HSD17B10KDM4EMAPTTDP1HPGD
Carbidopa Anhydrous SCHEMBL30803536 0.85 HSD17B10 (1.00) HSD17B10KDM4EMAPTTDP1HPGD
Carbidopa Anhydrous SCHEMBL2688295 0.85 HSD17B10 (1.00) HSD17B10KDM4EMAPTTDP1HPGD
Carbidopa Anhydrous SCHEMBL5051647 0.85 HSD17B10 (1.00) HSD17B10KDM4EMAPTTDP1HPGD
Carbidopa Anhydrous SCHEMBL29392554 0.85 HSD17B10 (1.00) HSD17B10KDM4EMAPTTDP1HPGD
Carbidopa Anhydrous SCHEMBL8407333 0.85 HSD17B10 (1.00) HSD17B10KDM4EMAPTTDP1HPGD
Carbidopa Anhydrous SCHEMBL35084 0.85 HSD17B10 (1.00) HSD17B10KDM4EMAPTTDP1HPGD

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-114478303-A Method for synthesizing carbidopa 浙江野风药业股份有限公司 2022-05-13 CN disclosed