SCHEMBL9614800

SCHEMBL9614800

C=Cc1ccc(CC(C(=O)OCC)C(=O)OCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ TAS1R3 Q7RTX0 2/20 0.40
▸ TAS1R1 Q7RTX1 2/20 0.40
▸ LDHA P00338 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ PTPRB P23467 1/20 0.39
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MIF P14174 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3656383 0.92 MMP8 (0.47) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL1312803 0.86 MMP8 (0.62) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL16022460 0.85 LTA4H (0.40) MMP8ALDH1A1TAS1R3TAS1R1LDHA
SCHEMBL5367466 0.83 PPARA (0.49) —
SCHEMBL6711568 0.81 MMP8 (0.57) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL7950610 0.80 ALDH1A1 (0.41) ALDH1A1TP53TAS1R3TAS1R1LDHA
SCHEMBL5800254 0.80 MMP8 (0.55) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL18946161 0.80 MMP8 (0.59) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL5146874 0.79 LDHA (0.52) ALDH1A1TAS1R3TAS1R1LDHAPKM
SCHEMBL7436472 0.78 MMP8 (0.54) MMP8ALDH1A1TP53NPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4108808-A — — None — — JP disclosed
US-5147952-A PROCESS FOR PRODUCING MACROMOLECULAR MONOMER TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-09-15 — — US disclosed
JP-H04108808-A PRODUCTION OF MACROMONOMER TOAGOSEI CHEM IND CO LTD 1992-04-09 — — JP disclosed
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