SCHEMBL29034770

SCHEMBL29034770

O=C(CCC(=O)OC1CNC1)OC1CNC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL29548816 0.81
SCHEMBL11377347 0.76 NAAA (0.44) NAAASMN1; SMN2TSHRALDH1A1CYP2C19
SCHEMBL3079590 0.76 NAAA (0.30) NAAA
SCHEMBL19690548 0.76 NAAA (0.52) NAAASMN1; SMN2TSHRALDH1A1TP53
SCHEMBL688937 0.74
SCHEMBL7454131 0.72 NAAA (0.45) NAAASMN1; SMN2TSHRALDH1A1TP53
SCHEMBL7457705 0.72 NAAA (0.45) NAAASMN1; SMN2TSHRALDH1A1TP53
SCHEMBL7457710 0.72 NAAA (0.45) NAAASMN1; SMN2TSHRALDH1A1TP53
Hydrochloric Acid SCHEMBL3412250 0.72
SCHEMBL207015 0.72 NAAA (0.64) NAAASMN1; SMN2TSHRALDH1A1CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425720-A Preparation method of delafloxacin meglumine 广东东阳光药业有限公司 2023-07-14 CN claimed
CN-116425720-A Preparation method of delafloxacin meglumine 广东东阳光药业有限公司 2023-07-14 CN disclosed