SCHEMBL9762373

SCHEMBL9762373

O=C(O)C(=O)OCC=Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP12 P39900 1/20 0.54
IDO1 P14902 2/20 0.53
PAM P19021 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
RECQL P46063 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CACNA1B Q00975 2/20 0.48
LMNA P02545 2/20 0.45
MAOB P27338 1/20 0.45
HAO1 Q9UJM8 1/20 0.44
HDAC3 O15379 1/20 0.44
TNKS O95271 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44

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
SCHEMBL9762368 0.92 IDO1 (0.57) MMP1MMP2MMP9MMP12IDO1
SCHEMBL23882016 0.86 MMP1 (0.51) MMP1MMP2MMP9MMP12IDO1
SCHEMBL20539359 0.86 MMP1 (0.51) MMP1MMP2MMP9MMP12IDO1
SCHEMBL827240 0.85 MMP1 (0.48) MMP1MMP2MMP9MMP12IDO1
SCHEMBL293068 0.85 IDO1 (0.57) MMP1MMP2MMP9MMP12IDO1
SCHEMBL293067 0.85 IDO1 (0.57) MMP1MMP2MMP9MMP12IDO1
SCHEMBL3324115 0.85 IDO1 (0.57) MMP1MMP2MMP9MMP12IDO1
Methacrylic Acid SCHEMBL20574356 0.84 CACNA1B (0.48) MMP1MMP2MMP9MMP12IDO1
SCHEMBL9595673 0.83 MMP1 (0.55) MMP1MMP2MMP9MMP12IDO1
SCHEMBL9595675 0.83 MMP1 (0.55) MMP1MMP2MMP9MMP12IDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3213390-A None JP disclosed
JP-H03213390-A THERMAL RECORDING MATERIAL OJI PAPER CO LTD 1991-09-18 JP disclosed