SCHEMBL2648376

SCHEMBL2648376

COC(=O)c1ccc(N(C(=O)OC)C2c3ccccc3-c3ccccc32)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MYC P01106 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ PTK2B Q14289 1/20 0.38

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
SCHEMBL2490239 0.76 GAA (0.41) GAACA1CA2TSHRLMNA
SCHEMBL6938982 0.75 MAPT (0.39) GAALMNAMAPTMEN1KMT2A
SCHEMBL7432374 0.72 ENPP2 (0.43) GAATSHRLMNAMAPTHTT
SCHEMBL7269532 0.72 OPRM1 (0.42) GAATSHRMAPTALDH1A1TBXA2R
SCHEMBL972375 0.71 KDM4E (0.40) GAATSHRSMN1; SMN2MAPTMEN1
SCHEMBL3165135 0.71 CA12 (0.62) GAACA12CA1CA2CA7
SCHEMBL3026487 0.71 THRB (0.43) GAACA12CA1CA2CA7
SCHEMBL7615298 0.67 SMN1; SMN2 (0.57) GAACA12CA1CA2CA7
SCHEMBL3044362 0.67 GPR3 (0.46) GAATSHRLMNAMAPTMEN1
SCHEMBL7734598 0.66 SMN1; SMN2 (0.52) GAACA12CA1CA2CA7

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
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