SCHEMBL7207362

SCHEMBL7207362

C=CCOC(=O)c1ccc(C(=O)O)cc1CC=C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 4/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SNCA P37840 1/20 0.43
KDM4E B2RXH2 3/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
ELANE P08246 1/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FFAR1 O14842 1/20 0.36

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
SCHEMBL787324 0.93 CYP3A4 (0.54) CYP3A4ALDH1A1TSHRHSD17B10SNCA
SCHEMBL5366925 0.86 CYP3A4 (0.62) CYP3A4ALDH1A1TSHRHSD17B10SNCA
SCHEMBL625194 0.85 CYP3A4 (0.56) CYP3A4ALDH1A1TSHRHSD17B10SNCA
SCHEMBL1908038 0.85 CYP3A4 (0.60) CYP3A4ALDH1A1TSHRHSD17B10SNCA
SCHEMBL278481 0.84 KDM4E (0.46) ALDH1A1TSHRKDM4EELANEHTT
SCHEMBL11267007 0.84 CYP3A4 (0.54) CYP3A4ALDH1A1TSHRHSD17B10SNCA
SCHEMBL9255617 0.84 ELANE (0.40) CYP3A4ALDH1A1KDM4EELANEHTT
SCHEMBL10693946 0.84 CYP3A4 (0.54) CYP3A4ALDH1A1TSHRHSD17B10SNCA
SCHEMBL10336950 0.84 HSD17B10 (0.55) CYP3A4ALDH1A1TSHRHSD17B10SNCA
SCHEMBL27389269 0.82 ALDH1A1 (0.61) CYP3A4ALDH1A1TSHRHSD17B10SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670503-B2 By reacting with anhydrous metal salts of a weaker acid than terephthalic acid, until a water soluble compound is obtained, followed by dissolution in water and acidification; nondiscolored product, efficient use of reagents, energy CONSORZIO NAZIONALE PER LA RACCOLTA, IL RICICLAGGIO E IL RECUPERO DEI RIFIUTI DI IMBALLAGGI IN PLASTICA (IT) 2003-12-30 US disclosed
EP-1138663-B1 Method for recovery of terephthalic acid from a material containing poly(ethylene terephthalates) BROCCATELLI MASSIMO (IT) 2002-10-16 EP disclosed
EP-1138663-A1 Method for recovery of terephthalic acid from a material containing poly(ethylene terephthalates) Broccatelli, Massimo (IT) 2001-10-04 EP disclosed
US-20010023303-A1 Method for recovery of terephthalic acid from a material containing poly (ethylene terephthalates) CONSORZIO NAZIONALE PER LA RACCOLTA, IL RICICLAGGIO E IL RECUPERO DEI RIFIUTI DI IMBALLAGGI IN PLASTICA (IT) 2001-09-20 US disclosed
US-6271328-B1 FREE RADICAL ROUTE FOR OPTICAL ARTICLE FOR REFRACTIVE INDEX, ALLYL CARBONATES ENICHEM SYNTHESIS S.P.A., (IT) 2001-08-07 US disclosed
EP-0331260-B1 Liquid, polymerisable composition yielding optical articles showing a high refractive index GREAT LAKES CHEMICAL ITALIA (IT) 1995-05-17 EP disclosed
EP-0331260-A2 Liquid, polymerisable composition yielding optical articles showing a high refractive index GREAT LAKES CHEMICAL ITALIA S.r.l. (IT) 1989-09-06 EP disclosed