SCHEMBL10429679

SCHEMBL10429679

CCCCCCCCCCC1(C(C)=O)C=CC(c2ccc(-c3ccccc3)cc2)C=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
SOAT1 P35610 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
PTPN1 P18031 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
RARB P10826 4/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RARA P10276 1/20 0.35

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
SCHEMBL8780385 0.92 PPARG (0.39) MMP2MMP9
SCHEMBL4184927 0.83 PPARG (0.39) MMP2MMP9
SCHEMBL4183418 0.83 PPARG (0.39) MMP2MMP9
SCHEMBL10440676 0.83 PPARG (0.39) MMP2MMP9
SCHEMBL9746013 0.83 PPARG (0.39) MMP2MMP9
SCHEMBL4181876 0.83 PPARG (0.39) MMP2MMP9
SCHEMBL10429823 0.82 MMP2 (0.39) MMP2MMP9SOAT1POLBHPGD
SCHEMBL9852424 0.82 NPC1 (0.39) MMP2MMP9
SCHEMBL11107744 0.79 PPARG (0.36) MMP2MMP9POLB
SCHEMBL9846940 0.76 MMP2 (0.40) MMP2MMP9SOAT1HDAC3HDAC1

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-0360042-A1 p-Terphenyl derivatives and liquid crystalline compositions KANTO KAGAKU KABUSHIKI KAISHA (JP) 1990-03-28 EP disclosed