SCHEMBL9293674

SCHEMBL9293674

O=C(O)COc1ccc(C=NCCN=Cc2ccc(OCC(=O)O)cc2O)c(O)c1.O=[V]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ PTPN7 P35236 1/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ ALOX15 P16050 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ PDE3B Q13370 1/20 0.40

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
SCHEMBL8761452 0.97 PPARD (0.47) PPARDKDM4EMAPTTDP1PTPN7
SCHEMBL9293710 0.80 GAA (0.54) KDM4EMAPTCA12CA2CA1
SCHEMBL7293656 0.79 TRIM24 (0.57) PPARDMAPTPTPN7ALOX15TSHR
SCHEMBL8761193 0.77 CHRNB2 (0.49) KDM4EMAPTCA12CA2CA1
SCHEMBL17743542 0.74 CA2 (0.64) KDM4EMAPTCA12CA2CA1
SCHEMBL17743543 0.74 CA2 (0.64) KDM4EMAPTCA12CA2CA1
SCHEMBL4019934 0.73 PTPN7 (0.59) PPARDMAPTPTPN7ALOX15TSHR
SCHEMBL5383501 0.72 PTPN7 (0.54) PPARDMAPTPTPN7ALOX15TSHR
SCHEMBL17743572 0.72 NR5A1 (0.54) MAPTCA12CA2CA1CA9
SCHEMBL8761388 0.72 CHRNB2 (0.52) KDM4EMAPTCA12CA2CA1

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
US-5278154-A New vanadium complexes ADIR ET COMPAGNIE (FR) 1994-01-11 — — US disclosed
US-5266565-A Antidiabetic ADIR ET COMPAGNIE (FR) 1993-11-30 — — US disclosed
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