SCHEMBL5173650

SCHEMBL5173650

CCOC(=O)c1c(-c2ccc(C(=O)O)cc2)n[nH]c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HPGDS O60760 1/20 0.48
▸ MAP2K4 P45985 4/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ MAPK6 Q16659 2/20 0.48
▸ MAPKAPK3 Q16644 1/20 0.48
▸ ADORA3 P0DMS8 4/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RARA P10276 1/20 0.43
▸ RARB P10826 1/20 0.43
▸ RARG P13631 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ USP2 O75604 1/20 0.43

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
SCHEMBL11269746 0.87 HPGDS (0.61) PDE4DKDM4ESMN1; SMN2HPGDSMAPK1
SCHEMBL2200266 0.83 PDE4D (0.58) PDE4DKDM4ESMN1; SMN2HPGDSMAPK1
SCHEMBL7460449 0.82 PDE4D (0.52) PDE4DKDM4ESMN1; SMN2HPGDSADORA3
SCHEMBL5271422 0.77 KDM4E (0.64) PDE4DKDM4ESMN1; SMN2HPGDSMAPK1
SCHEMBL1969117 0.74 HPGDS (0.59) KDM4ESMN1; SMN2HPGDSADORA3KMT2A
SCHEMBL3263722 0.73 HPGDS (0.57) KDM4ESMN1; SMN2HPGDSMAPK1ADORA3
SCHEMBL7513038 0.73 PDE4D (0.73) PDE4DKDM4ESMN1; SMN2MAPK1KMT2A
SCHEMBL10984267 0.73 HSP90AA1 (0.62) SMN1; SMN2HPGDSMAPK1KMT2AMEN1
SCHEMBL353564 0.72 PDE4D (1.00) PDE4DKDM4ESMN1; SMN2MAPK1KMT2A
SCHEMBL17279852 0.72 HPGDS (0.60) KDM4ESMN1; SMN2HPGDSADORA3KMT2A

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
EP-1784400-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-05-16 — — EP disclosed
WO-2006023462-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-03-02 — — WO disclosed
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