SCHEMBL8205371

SCHEMBL8205371

O=C(NCCCC(CCCNC(=O)OCc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.67
▸ SLC1A3 P43003 1/20 0.66
▸ SLC1A1 P43005 1/20 0.66
▸ LMNA P02545 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ FOLH1 Q04609 4/20 0.59
▸ TGM2 P21980 1/20 0.59
▸ KEAP1 Q14145 2/20 0.58
▸ NFE2L2 Q16236 2/20 0.58
▸ MMP2 P08253 1/20 0.56
▸ MMP9 P14780 1/20 0.56
▸ DPP8 Q6V1X1 1/20 0.54
▸ DPP7 Q9UHL4 1/20 0.54
▸ ANPEP P15144 1/20 0.52

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
SCHEMBL9564585 0.93 SLC1A3 (0.59) HTTSLC1A3SLC1A1LMNASMN1; SMN2
SCHEMBL25413770 0.90 HTT (0.68) HTTSLC1A3SLC1A1LMNASMN1; SMN2
SCHEMBL2139878 0.87 HTT (0.65) HTTSLC1A3SLC1A1LMNASMN1; SMN2
SCHEMBL11317170 0.87 HTT (0.65) HTTSLC1A3SLC1A1LMNASMN1; SMN2
SCHEMBL2139876 0.87 HTT (0.65) HTTSLC1A3SLC1A1LMNASMN1; SMN2
SCHEMBL6605706 0.87 HTT (0.68) HTTSLC1A3SLC1A1LMNASMN1; SMN2
SCHEMBL18254066 0.86 HTT (0.81) HTTSLC1A3SLC1A1LMNASMN1; SMN2
SCHEMBL2677967 0.86 SLC1A3 (0.70) HTTSLC1A3SLC1A1LMNASMN1; SMN2
SCHEMBL16298087 0.86 HTT (0.63) HTTSLC1A3SLC1A1LMNASMN1; SMN2
SCHEMBL11507954 0.86 HTT (0.63) HTTSLC1A3SLC1A1LMNASMN1; SMN2

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-6057419-A DRUGS AND IMAGES SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 — — US disclosed
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