SCHEMBL8905554

SCHEMBL8905554

COc1ccc(C(=O)c2ccc(Cc3ccc(=O)[nH]n3)n2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.42
AKR1B1 P15121 2/20 0.40
CXCL8 P10145 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GLO1 Q04760 1/20 0.40
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
VNN1 O95497 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL8904746 0.89 NPSR1 (0.41) LMNAALDH1A1ALOX15NPSR1AKR1B1
SCHEMBL8905744 0.88 CXCL8 (0.38) LMNAALDH1A1ALOX15NPSR1HTT
SCHEMBL8905800 0.87 AKR1B1 (0.54) LMNAALDH1A1AKR1B1CXCL8PTGS1
SCHEMBL8905641 0.87 PLK1 (0.40) LMNAALDH1A1ALOX15NPSR1HTT
SCHEMBL8904190 0.86 AKR1B1 (0.41) LMNAALDH1A1NPSR1AKR1B1CXCL8
SCHEMBL8905930 0.86 AKR1B1 (0.41) LMNAAKR1B1CXCL8PTGS1PTGS2
SCHEMBL8905896 0.86 PTGS2 (0.41) LMNAALDH1A1NPSR1HTTAKR1B1
SCHEMBL8904844 0.86 AKR1B1 (0.43) LMNAALDH1A1AKR1B1CXCL8PTGS1
SCHEMBL8904821 0.85 CXCL8 (0.41) LMNAALDH1A1ALOX15NPSR1HTT
SCHEMBL8904566 0.84 NPC1 (0.40) LMNAALDH1A1ALOX15HTTAKR1B1

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-5622948-A ANALGESICS SYNTEX (U.S.A.) INC. (US) 1997-04-22 US disclosed
EP-0714895-A1 Pyrrole derivatives F. Hoffmann-La Roche AG (CH) 1996-06-05 EP disclosed