SCHEMBL8399232

SCHEMBL8399232

OCCOCCOc1ccc(OCCO)c(CCO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
CASP1 P29466 1/20 0.44
KMT2A Q03164 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
APP P05067 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH2 P05091 1/20 0.41
RECQL P46063 1/20 0.38
INPPL1 O15357 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 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
SCHEMBL8399616 0.98 MAPK1 (0.46) ALDH1A1MAPK1SMN1; SMN2MEN1USP2
SCHEMBL8398189 0.98 MAPK1 (0.46) ALDH1A1MAPK1SMN1; SMN2MEN1USP2
SCHEMBL8519048 0.94 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2MEN1USP2
SCHEMBL8827927 0.92 MAPK1 (0.46) ALDH1A1MAPK1SMN1; SMN2MEN1USP2
SCHEMBL8993976 0.92 MAPK1 (0.46) ALDH1A1MAPK1SMN1; SMN2MEN1USP2
SCHEMBL8395857 0.92 MAPK1 (0.46) ALDH1A1MAPK1SMN1; SMN2MEN1USP2
SCHEMBL8827950 0.92 MAPK1 (0.46) ALDH1A1MAPK1SMN1; SMN2MEN1USP2
SCHEMBL7040164 0.92 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CYP3A4RECQLINPPL1
SCHEMBL8399354 0.91 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2MEN1USP2
SCHEMBL8993983 0.91 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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