SCHEMBL14404262

SCHEMBL14404262

CCCCOc1cc(OCCCC)c2c(c1)OC(c1ccc(OCCCC)c(OCCCC)c1)C(O)C2OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A1 P04798 1/20 0.38
▸ ABCB1 P08183 1/20 0.37
▸ GABRA1 P14867 3/20 0.36
▸ GABRB2 P47870 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ PPARG P37231 2/20 0.33
▸ PPARA Q07869 1/20 0.33

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
SCHEMBL14415238 0.85 SLC5A2 (0.35) MEN1KMT2AALDH1A1CYP3A4MAPK1
SCHEMBL14415237 0.85 SLC5A2 (0.35) MEN1KMT2AALDH1A1CYP3A4MAPK1
SCHEMBL14626184 0.85 SLC5A2 (0.35) MEN1KMT2AALDH1A1CYP3A4MAPK1
SCHEMBL13508830 0.85 ALDH1A1 (0.39) ALDH1A1CYP3A4MAPK1SMN1; SMN2KDM4E
SCHEMBL14380399 0.84 MEN1 (0.42) MEN1KMT2AALDH1A1CYP3A4MAPK1
SCHEMBL15918783 0.80 ALDH1A1 (0.38) MEN1KMT2AALDH1A1CYP3A4MAPK1
SCHEMBL14701450 0.79 ALDH1A1 (0.63) MEN1KMT2AALDH1A1CYP3A4MAPK1
SCHEMBL16160599 0.76 FAAH (0.36) ALDH1A1PPARGPPARA
SCHEMBL15918843 0.75 ALDH1A1 (0.36) MEN1KMT2AALDH1A1CYP3A4MAPK1
SCHEMBL14625927 0.74 SNCA (0.43) ALDH1A1CYP3A4MAPK1SMN1; SMN2ABCB1

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-7282598-B2 Synthetic methods for preparing procyanidin oligomers MARS, INC. 2007-10-16 — — US disclosed
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