SCHEMBL5396186

SCHEMBL5396186

CC(C)(C)c1ccc([O-])c(C(C)(C)C)c1.CC(C)(C)c1ccc([O-])c(C(C)(C)C)c1.CC(C)(C)c1ccc([O-])c(C(C)(C)C)c1.CC(C)(C)c1ccc([O-])c(C(C)(C)C)c1.[Ti+4]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
ALOX15 P16050 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1I2 O75469 1/20 0.38
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.36
TYR P14679 1/20 0.36
NPC1 O15118 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35

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
Lithium Ion SCHEMBL7743747 0.95 ALDH1A1 (0.41) ALDH1A1ALOX15HPGDHSD17B10TDP1
Potassium Ion SCHEMBL7746261 0.95 ALDH1A1 (0.41) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL10874622 0.95 ALDH1A1 (0.41) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL7743750 0.95 ALDH1A1 (0.41) ALDH1A1ALOX15HPGDHSD17B10TDP1
Hydrochloric Acid SCHEMBL6039934 0.93 ALDH1A1 (0.40) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL5679072 0.93 ALDH1A1 (0.40) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL4363292 0.90 ALDH1A1 (0.38) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL1451091 0.85 ALDH1A1 (0.34) ALDH1A1ALOX15HPGDHSD17B10TDP1
Phosphoric Acid SCHEMBL27702683 0.85 NR1I2 (0.39) ALDH1A1ALOX15HPGDHSD17B10TDP1
Phosphoric Acid SCHEMBL29534935 0.85 NR1I2 (0.39) ALDH1A1ALOX15HPGDHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485422-B1 CATALYTIC SYSTEMS CYCLICS CORP (US) 2007-07-04 EP claimed
US-7186666-B2 Catalytic systems CYCLICS CORPORATION (US) 2007-03-06 US claimed
US-20050227861-A1 For polymerization of macrocyclic oligoesters and the depolymerization of polyesters CYCLICS CORPORATION (US) 2005-10-13 US claimed
US-6906147-B2 Catalytic systems CYCLICS CORPORATION (US) 2005-06-14 US claimed
EP-1485422-A1 CATALYTIC SYSTEMS Cyclics Corporation (US) 2004-12-15 EP claimed
US-20030195328-A1 Catalytic systems Goodwin Procter LLP 2003-10-16 US claimed
WO-2003080705-A1 CATALYTIC SYSTEMS CYCLICS CORPORATION (US) 2003-10-02 WO claimed
EP-1485422-B1 CATALYTIC SYSTEMS CYCLICS CORP (US) 2007-07-04 EP disclosed
US-7186666-B2 Catalytic systems CYCLICS CORPORATION (US) 2007-03-06 US disclosed
US-20050227861-A1 For polymerization of macrocyclic oligoesters and the depolymerization of polyesters CYCLICS CORPORATION (US) 2005-10-13 US disclosed
US-6906147-B2 Catalytic systems CYCLICS CORPORATION (US) 2005-06-14 US disclosed
EP-1485422-A1 CATALYTIC SYSTEMS Cyclics Corporation (US) 2004-12-15 EP disclosed
US-20030195328-A1 Catalytic systems Goodwin Procter LLP 2003-10-16 US disclosed
WO-2003080705-A1 CATALYTIC SYSTEMS CYCLICS CORPORATION (US) 2003-10-02 WO disclosed