SCHEMBL14403950

SCHEMBL14403950

CCCCOc1cc(OCCCC)c2c(c1)OC(c1ccc(OCCCC)c(OCCCC)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2c1c(OC(C)=O)cc(OC(C)=O)c2c1OC(c1ccc(OC(C)=O)c(OC(C)=O)c1)C(OC(C)=O)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ PRKD3 O94806 5/20 0.42
▸ PRKCG P05129 5/20 0.42
▸ PRKCB P05771 5/20 0.42
▸ PRKCA P17252 5/20 0.42
▸ PRKCH P24723 5/20 0.42
▸ PRKCI P41743 5/20 0.42
▸ PRKCE Q02156 5/20 0.42
▸ PRKCQ Q04759 5/20 0.42
▸ PRKCZ Q05513 5/20 0.42
▸ PRKCD Q05655 5/20 0.42
▸ PRKD1 Q15139 5/20 0.42
▸ MMP2 P08253 4/20 0.42
▸ MMP9 P14780 4/20 0.42
▸ SNCA P37840 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL14380394 0.90 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPK1SMN1; SMN2PRKD3
SCHEMBL14403948 0.87 ALDH1A1 (0.55) ALDH1A1CYP3A4MAPK1SMN1; SMN2PRKD3
SCHEMBL14380393 0.83 SNCA (0.56) ALDH1A1CYP3A4MAPK1SMN1; SMN2PRKD3
SCHEMBL14625927 0.78 SNCA (0.43) ALDH1A1CYP3A4MAPK1SMN1; SMN2PRKD3
SCHEMBL14380395 0.76 MAPK1 (0.55) ALDH1A1CYP3A4MAPK1SMN1; SMN2PRKD3
SCHEMBL14701450 0.75 ALDH1A1 (0.63) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL14700131 0.74 ALDH1A1 (0.59) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL14700132 0.74 ALDH1A1 (0.59) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL14700152 0.74 ALDH1A1 (0.59) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL14404262 0.72 MEN1 (0.41) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1

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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