SCHEMBL8993983

SCHEMBL8993983

OCCOCCOc1ccc(Oc2ccc(OCCO)cc2)cc1CCO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
APP P05067 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PPARG P37231 10/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
RECQL P46063 1/20 0.38
ALDH2 P05091 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
SCHEMBL8399354 1.00 ALDH1A1 (0.44) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL8399232 0.91 ALDH1A1 (0.44) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL8399616 0.90 MAPK1 (0.46) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL8398189 0.90 MAPK1 (0.46) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL8399484 0.87 L3MBTL1 (0.46) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL8396465 0.87 L3MBTL1 (0.46) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL8395641 0.87 L3MBTL1 (0.46) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL8396499 0.87 L3MBTL1 (0.46) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL8519048 0.85 ALDH1A1 (0.44) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL8827927 0.84 MAPK1 (0.46) ALDH1A1MEN1USP2LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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