SCHEMBL9207231

SCHEMBL9207231

CCOC(=O)C(CCc1ccccc1)Oc1ccccc1OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 2/20 0.47
TAAR1 Q96RJ0 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.42
PLA2G2A P14555 1/20 0.42

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
SCHEMBL9205464 0.89 L3MBTL1 (0.48) ACESMN1; SMN2KMT2ANPSR1MEN1
SCHEMBL9201161 0.86 PPARG (0.51) SMN1; SMN2KMT2AMEN1POLBMAPT
SCHEMBL6632835 0.83 SMN1; SMN2 (0.54) ACESMN1; SMN2KMT2AMEN1MAPT
SCHEMBL6632836 0.83 SMN1; SMN2 (0.54) ACESMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4940835 0.83 KMT2A (0.43) SMN1; SMN2KMT2ANPSR1MEN1POLB
SCHEMBL9208264 0.82 KMT2A (0.47) SMN1; SMN2KMT2ANPSR1MEN1POLB
SCHEMBL7861410 0.80 L3MBTL1 (0.49) SMN1; SMN2MAPTPPARGPPARALMNA
SCHEMBL20676110 0.79 SMN1; SMN2 (0.52) ACESMN1; SMN2KMT2AMEN1MAPT
SCHEMBL7996690 0.77 PPARA (0.57) ACESMN1; SMN2PPARGPPARALMNA
SCHEMBL1434442 0.77 PPARG (0.54) ACESMN1; SMN2KMT2AMEN1POLB

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
EP-0423802-B1 Phenoxy-heterocyclic compounds MERRELL DOW PHARMA (US) 1995-08-09 EP disclosed
US-5134154-A Phenoxy-heterocyclic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-28 US disclosed
EP-0423802-A1 Phenoxy-heterocyclic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-24 EP disclosed