SCHEMBL7040164

SCHEMBL7040164

OCCOc1ccc(OCCO)c(CCO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
NR1I2 O75469 1/20 0.41
IDO1 P14902 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
INPPL1 O15357 1/20 0.39
GAA P10253 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDK2 Q15119 1/20 0.37

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
SCHEMBL8399232 0.92 ALDH1A1 (0.44) ALDH1A1RECQLCA12CA1CA9
SCHEMBL8399616 0.90 MAPK1 (0.46) ALDH1A1INPPL1CYP3A4SMN1; SMN2
SCHEMBL8398189 0.90 MAPK1 (0.46) ALDH1A1INPPL1CYP3A4SMN1; SMN2
SCHEMBL8396120 0.88 ALDH1A1 (0.40) ALDH1A1RECQLCA12CA1CA9
SCHEMBL8396631 0.88 ALDH1A1 (0.44) ALDH1A1RECQLCA12CA1CA9
SCHEMBL8519048 0.85 ALDH1A1 (0.44) ALDH1A1RECQLCA12CA1CA9
SCHEMBL8993983 0.83 ALDH1A1 (0.44) ALDH1A1RECQLPPARGCYP3A4SMN1; SMN2
SCHEMBL8399354 0.83 ALDH1A1 (0.44) ALDH1A1RECQLPPARGCYP3A4SMN1; SMN2
SCHEMBL8395857 0.83 MAPK1 (0.46) ALDH1A1INPPL1CYP3A4SMN1; SMN2
SCHEMBL8827927 0.83 MAPK1 (0.46) ALDH1A1INPPL1CYP3A4SMN1; SMN2

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-5648449-A Copolyesters, molded articles from the same and aromatic triols used for producing the same KURARAY CO., LTD. (JP) 1997-07-15 US claimed
US-6630564-B2 Surface color of the molded articles NAN YA PLASTICS CORPORATION (TW) 2003-10-07 US disclosed
EP-1319679-A1 Copolyester with improved extrusion processing and color for extrusion blow molding NAN YA PLASTICS CORPORATION (TW) 2003-06-18 EP disclosed
US-20030096942-A1 Copolyester with improved extrusion processing and color for extrusion blow molding NAN YA PLASTICS CORPORATION (TW) 2003-05-22 US disclosed
EP-0725051-B1 Copolyesters, molded articles from the same and aromatic triols used for producing the same KURARAY CO (JP) 1999-06-02 EP disclosed
US-5648449-A Copolyesters, molded articles from the same and aromatic triols used for producing the same KURARAY CO., LTD. (JP) 1997-07-15 US disclosed
EP-0725051-A2 Copolyesters, molded articles from the same and aromatic triols used for producing the same KURARAY CO., LTD. (JP) 1996-08-07 EP disclosed