SCHEMBL7598087

SCHEMBL7598087

O=C(O)C=Cc1ccc(C(=O)C=Cc2ccccc2)c(O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.72
▸ KMT2A Q03164 6/20 0.72
▸ MAPK1 P28482 5/20 0.72
▸ CYP3A4 P08684 5/20 0.72
▸ MEN1 O00255 5/20 0.72
▸ KDM4E B2RXH2 5/20 0.72
▸ HSD17B10 Q99714 4/20 0.72
▸ HPGD P15428 4/20 0.72
▸ TDP1 Q9NUW8 4/20 0.72
▸ ALOX15 P16050 3/20 0.72
▸ ALDH1A1 P00352 3/20 0.72
▸ THRB P10828 2/20 0.72
▸ SMN1; SMN2 Q16637 2/20 0.72
▸ CYP2C19 P33261 3/20 0.66
▸ BCHE P06276 1/20 0.66
▸ LMNA P02545 3/20 0.63
▸ ABCG2 Q9UNQ0 2/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ RECQL P46063 1/20 0.63
▸ RAB9A P51151 1/20 0.63

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
SCHEMBL25212453 1.00 MAPT (0.72) MAPTKMT2AMAPK1CYP3A4MEN1
SCHEMBL31233200 1.00 MAPT (0.72) MAPTKMT2AMAPK1CYP3A4MEN1
SCHEMBL30383956 0.90 MAOA (0.69) MAPTKMT2AMAPK1CYP3A4MEN1
SCHEMBL25195813 0.90 MAOA (0.69) MAPTKMT2AMAPK1CYP3A4MEN1
SCHEMBL16670790 0.90 MAOA (0.69) MAPTKMT2AMAPK1CYP3A4MEN1
SCHEMBL30383805 0.89 MAPT (0.77) MAPTKMT2AMAPK1CYP3A4MEN1
SCHEMBL11586243 0.89 MAPT (0.77) MAPTKMT2AMAPK1CYP3A4MEN1
SCHEMBL6289491 0.88 GUSB (0.72) MAPTKMT2AMAPK1CYP3A4MEN1
SCHEMBL6289490 0.88 GUSB (0.72) MAPTKMT2AMAPK1CYP3A4MEN1
SCHEMBL25188827 0.86 CYP3A4 (0.84) MAPTKMT2AMAPK1CYP3A4MEN1

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
EP-1263454-A2 METHODS FOR ENHANCING THE BIOAVAILABILITY OF A DRUG Praecis Pharmaceuticals Incorporated (US) 2002-12-11 — — EP disclosed
WO-2001058470-A2 METHODS FOR ENHANCING THE BIOAVAILABILITY OF A DRUG PRAECIS PHARMACEUTICALS INCORPORATED (US) 2001-08-16 — — WO disclosed
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