SCHEMBL6823192

SCHEMBL6823192

COc1ccc(SC(CC(=O)O)c2ccccc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.46
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
ITGB3 P05106 4/20 0.43
ITGAV P06756 4/20 0.43
ITGA2B P08514 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.43
PPARD Q03181 1/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ADRB2 P07550 1/20 0.41

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
SCHEMBL6819753 0.87 PDE4A (0.57) TDP1L3MBTL1POLBPDE4APDE4B
SCHEMBL10715555 0.87 TDP1 (0.46) TNFTDP1L3MBTL1POLBPDE4A
SCHEMBL10426256 0.81 MTNR1A (0.51) L3MBTL1ITGB3ITGAVITGA2BLMNA
SCHEMBL6819934 0.79 LDHA (0.46) TNFL3MBTL1POLBSMN1; SMN2KMT2A
SCHEMBL10424846 0.79 ITGB3 (0.47) TNFTDP1L3MBTL1POLBITGB3
SCHEMBL22362031 0.77 ITGB3 (0.51) ITGB3ITGAVITGA2BSMN1; SMN2LMNA
SCHEMBL9073611 0.77 ITGB3 (0.51) ITGB3ITGAVITGA2BSMN1; SMN2LMNA
SCHEMBL6824567 0.77 NPC1 (0.48) L3MBTL1POLBPDE4APDE4BPDE4C
SCHEMBL7435606 0.76 L3MBTL1 (0.51) TDP1L3MBTL1SMN1; SMN2KMT2AALDH1A1
SCHEMBL29174154 0.76 TNF (0.60) TNFTDP1L3MBTL1POLBPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871439-B1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS AVENTIS PHARMA INC (US) 2004-03-31 EP disclosed
US-6057369-A USE IN THE TREATMENT OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY WHICH ARE CAPABLE OF BEING MODULATED BY INHIBITING A MATRIX METALLOPROTEINASE (MMP), TUMOR NECROSIS FACTOR (TNF) OR CYCLIC AMP RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-05-02 US disclosed
EP-0871439-A4 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE POULENC RORER PHARMA (US) 1999-07-21 EP disclosed
EP-0871439-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-10-21 EP disclosed
WO-1997024117-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-10 WO disclosed