SCHEMBL17880797

SCHEMBL17880797

C=C(C)C(=O)OCCOc1ccc2c(c1)Oc1cc(OCCOC(=O)C(=C)C)ccc1C21c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDK2 Q15119 17/20 0.39

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
SCHEMBL27295134 0.82 TDP1 (0.38) CYP3A4HTTMEN1USP2ALDH1A1
SCHEMBL157502 0.82 POLB (0.48) HTTMEN1LMNAMAPTKMT2A
SCHEMBL30800968 0.82 POLB (0.48) HTTMEN1LMNAMAPTKMT2A
SCHEMBL22648011 0.81 PDK2 (0.45) HTTLMNAMAPTPOLBAPEX1
SCHEMBL25145527 0.80 HTT (0.45) CYP3A4HTTMEN1USP2ALDH1A1
SCHEMBL14889149 0.79 POLB (0.45) HTTMEN1ALDH1A1LMNAMAPT
SCHEMBL22872219 0.79 PDK2 (0.53) CYP3A4HTTMEN1USP2ALDH1A1
SCHEMBL25137098 0.79 CYP3A4 (0.56) CYP3A4HTTMEN1USP2ALDH1A1
SCHEMBL16903531 0.79 THRB (0.46) CYP3A4HTTMEN1USP2ALDH1A1
SCHEMBL22831755 0.78 HTT (0.38) CYP3A4HTTMEN1USP2ALDH1A1

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
US-20160185887-A1 POLYMERIZABLE COMPOSITION FOR HIGH-REFRACTIVE OPTICAL MATERIAL AND METHOD FOR PREPARING HIGH-REFRACTIVE OPTICAL MATERIAL KOC SOLUTION CO., LTD. (KR) 2016-06-30 US disclosed