SCHEMBL2651173

SCHEMBL2651173

COc1cc(C2OCCO2)cc(I)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.47
PTPN1 P18031 3/20 0.47
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
CYP3A4 P08684 1/20 0.41
APP P05067 1/20 0.40
PPARG P37231 2/20 0.39
ALOX5 P09917 1/20 0.39
IGF1R P08069 1/20 0.37
RPS6KA3 P51812 1/20 0.37
LMNA P02545 1/20 0.36
ACHE P22303 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35

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
SCHEMBL8885280 0.82 ACHE (0.46) PPARDPTPN1ACHEALDH1A1TUBB4A
SCHEMBL7814590 0.76 ACHE (0.44) PTPN1ACHEALDH1A1TUBB4ATUBB
SCHEMBL11101046 0.75 ACHE (0.58) PTPN1CYP3A4ACHEALDH1A1TUBB4A
SCHEMBL5783392 0.74 PTPN1 (0.40) PPARDPTPN1PPARGALOX5ACHE
SCHEMBL5785856 0.73 PTPN1 (0.39) PPARDPTPN1CYP3A4PPARGALOX5
SCHEMBL3690573 0.73 PPARG (0.64) PPARDPTPN1CYP3A4PPARGALOX5
SCHEMBL7195739 0.71 ABL1 (0.50) CYP3A4APPALOX5IGF1RRPS6KA3
SCHEMBL18288113 0.70 ALDH1A1 (0.58) ACHEALDH1A1
SCHEMBL15372462 0.70 TUBB4A (0.56) PPARDPTPN1CYP3A4PPARGALOX5
SCHEMBL13414990 0.69 ACHE (0.54) PTPN1CYP3A4ACHEALDH1A1TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed