SCHEMBL9703889

SCHEMBL9703889

COc1ccc2cc(N(C)c3ccc(OCc4ccccc4)cc3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.55
ALOX5 P09917 1/20 0.54
FLT3 P36888 1/20 0.47
BCHE P06276 2/20 0.47
APP P05067 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
LCK P06239 1/20 0.46
CYP1A2 P05177 2/20 0.45
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL27864414 0.81 ALOX5 (0.58) MAOBALOX5BCHEAPPNOX1
SCHEMBL9702074 0.77 CYP1A1 (0.46) MAOBALOX5APPCYP1A2PTGS1
SCHEMBL12048751 0.77 CYP1A2 (0.59) CYP1A2LMNAPDGFRBPDGFRACYP2A6
SCHEMBL791985 0.77 MAOB (0.69) MAOBBCHEAPPCYP1A2LMNA
SCHEMBL10935645 0.76 MAOB (0.53) MAOBALOX5APPNOX1PTGS1
SCHEMBL9703808 0.76 EGFR (0.59) MAOBALOX5FLT3BCHECYP1A2
SCHEMBL17609149 0.76 ENPP2 (0.53) ALOX5BCHEAPPNOX1MEN1
SCHEMBL17609267 0.75 MAOB (0.54) MAOBALOX5APPNOX1
SCHEMBL17602195 0.75 ALOX5 (0.49) MAOBALOX5BCHENOX1CYP1A2
SCHEMBL17609087 0.74 LTA4H (0.63) ALOX5BCHEAPPNOX1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221677-B1 P-AMINOPHENOLS, DERIVATIVES THEREOF AND USE FOR MANUFACTURE OF A MEDICAMENT E.R. Squibb & Sons, Inc. (US) 1992-09-09 EP disclosed
US-4910208-A Skin disorders, antiinflammatory agent E. R. SQUIBB & SONS, INC. (US) 1990-03-20 US disclosed
US-4814454-A ANTIALLERGENS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1989-03-21 US disclosed
EP-0221677-A2 p-Aminophenols, derivatives thereof and use for manufacture of a medicament E.R. Squibb & Sons, Inc. (US) 1987-05-13 EP disclosed