SCHEMBL9607805

SCHEMBL9607805

CCC(C)C(=O)OCCOc1ccc(OC(=O)c2ccc(-c3ccc(C#N)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MMP2 P08253 8/20 0.47
▸ MMP3 P08254 6/20 0.47
▸ MMP1 P03956 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HRH2 P25021 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ ACR P10323 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
SCHEMBL275085 1.00 MAPT (0.51) MAPTALDH1A1MMP2MMP3MMP1
SCHEMBL25501168 0.97 MAPT (0.48) MAPTALDH1A1MMP2MMP3MMP1
SCHEMBL26079395 0.97 MAPT (0.48) MAPTALDH1A1MMP2MMP3MMP1
SCHEMBL25501189 0.92 MMP2 (0.44) MAPTALDH1A1MMP2MMP3MMP1
SCHEMBL12032773 0.91 MAPT (0.50) MAPTALDH1A1MMP3SMN1; SMN2LMNA
SCHEMBL13476114 0.90 NPC1 (0.49) MAPTALDH1A1SMN1; SMN2LMNAHDAC1
SCHEMBL14426022 0.89 MAPT (0.46) MAPTALDH1A1MMP2MMP3MMP1
SCHEMBL25802143 0.89 RARB (0.51) MAPTSMN1; SMN2LMNATP53HRH3
SCHEMBL25802116 0.89 RARB (0.51) MAPTSMN1; SMN2LMNATP53HRH3
SCHEMBL13987042 0.88 MAPT (0.44) MAPTALDH1A1MMP2MMP3MMP1

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-20120133882-A1 LIQUID CRYSTAL FILM AND OPTICAL ELEMENT PRODUCED USING SAME JX NIPPON OIL & ENERGY CORPORATION (JP) 2012-05-31 — — US disclosed
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