SCHEMBL6905550

SCHEMBL6905550

O=C(CCOc1ccccc1C(=O)O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
KMT2A Q03164 4/20 0.65
PTK2B Q14289 1/20 0.65
KDM4E B2RXH2 5/20 0.54
HTT P42858 1/20 0.54
NPC1 O15118 2/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.47
NR4A2 P43354 1/20 0.47
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD3 P35462 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ESR1 P03372 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HMGB1 P09429 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL14397789 0.91 KMT2A (0.58) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL5507668 0.84 ALDH1A1 (0.71) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL30211332 0.84 ALDH1A1 (0.89) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL2049483 0.84 ALDH1A1 (0.89) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL14398436 0.83 KDM4E (0.67) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL212173 0.82 ALDH1A1 (0.79) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL31133329 0.81 ALDH1A1 (0.71) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL18700963 0.81 ALDH1A1 (0.71) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL571511 0.80 ALDH1A1 (0.76) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL29400029 0.80 ALDH1A1 (0.76) ALDH1A1KMT2APTK2BKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777508-B1 HIGHLY ACTIVE AND HIGHLY STEREOSPECIFIC CATALYSTS FOR THE POLYMERIZATION OF PROPYLENE AND HIGHER OLEFINS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-08-17 US disclosed
US-6194342-B1 COMPRISING REACTION PRODUCT OF ALUMINUM ALKYL COMPOUND, A SILICON COMPOUND CONTAINING ONE SI--OR OR SI--OCOR OR SI--NR2 BOND, R BEING HYDROCARBYL RADICAL, A SOLID COMPRISING AS SUPPORT A MAGNESIUM DIHALIDE AND A TITANIUM HALIDE MONTELL TECHNOLOGY COMPANY BV (NL) 2001-02-27 US disclosed
EP-0045977-B2 Components and catalysts for the polymerization of olefins MONTEDISON SPA (IT) 1995-03-15 EP disclosed
EP-0045977-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montedison S.p.A. (IT) 1987-01-07 EP disclosed
EP-0045977-A2 Components and catalysts for the polymerization of olefins Montedison S.p.A. (IT) 1982-02-17 EP disclosed