SCHEMBL11199879

SCHEMBL11199879

O=C(O)CCC(CCc1ccccc1)C(=O)c1cccc2c1C[C@@H](C(=O)O)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
CPA3 P15088 1/20 0.38
MMP3 P08254 1/20 0.36
KEAP1 Q14145 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HIF1A Q16665 1/20 0.33
HDAC3 O15379 1/20 0.33
MAPK1 P28482 1/20 0.33
ADRA1A P35348 1/20 0.33
HDAC4 P56524 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL28784684 0.79 MAPT (0.48) MAPTGAAKEAP1KDM4EHIF1A
SCHEMBL27768522 0.73 MAPT (0.49) MAPTGAAKDM4EHIF1AHDAC3
SCHEMBL27768438 0.71 MAPT (0.53) MAPTGAAKDM4EHIF1A
SCHEMBL27768409 0.70 GAA (0.54) MAPTGAASMN1; SMN2
SCHEMBL13229755 0.69 S1PR5 (0.53) MAPTGAAKDM4EHIF1AFFAR1
SCHEMBL13228878 0.69 MAPT (0.49) MAPTGAAKDM4EHDAC6
SCHEMBL27768482 0.68 S1PR5 (0.51) MAPTGAAFFAR1
SCHEMBL27790051 0.68 S1PR5 (0.47) MAPTGAAFFAR1
SCHEMBL7350860 0.67 CPA3 (0.71) MAPTCPA3MMP3KEAP1HDAC3
SCHEMBL12628272 0.66 BRD4 (0.49) MAPTGAAMAPK1PTGER1PTGER2

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-4374847-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-02-22 US disclosed