SCHEMBL7628633

SCHEMBL7628633

O=Cc1ccc2c(c1)CC(COCc1ccc(F)cc1)O2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7647566 0.88 HRH3 (0.34) KMT2AMEN1NPC1CYP1A2CYP2C9
SCHEMBL7630193 0.82 CYP4F2 (0.38)
SCHEMBL7633266 0.77 MAOB (0.34) MAOAMAOBKMT2AMEN1
SCHEMBL7633273 0.77 MAOB (0.34) MAOAMAOBKMT2AMEN1
SCHEMBL7629751 0.77 LMNA (0.43) MAOAMAOBLMNA
SCHEMBL7630340 0.74 PRKDC (0.41) KMT2ALMNA
SCHEMBL7634364 0.74 PRKDC (0.41) KMT2ALMNA
SCHEMBL7634359 0.74 PRKDC (0.41) KMT2ALMNA
SCHEMBL7630341 0.74 PRKDC (0.41) KMT2ALMNA
SCHEMBL7626681 0.73 PRKDC (0.40) KMT2ALMNA

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-0888327-B1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION MENARINI LAB (ES) 2002-06-12 EP disclosed
US-5990142-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS HAVING GOOD ORAL ADSORPTION AND BIOAVAILABILITY; CARDIOTONIC AND ANTIISCHEMIC AGENTS LABORATORIOS MENARINI S.A. (ES) 1999-11-23 US disclosed
EP-0888327-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1999-01-07 EP disclosed
WO-1997034885-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-09-25 WO disclosed