SCHEMBL10344296

SCHEMBL10344296

CCCOC(=O)c1ccc(OC(=O)c2ccccc2C(=O)Oc2ccc(C(=O)OCCC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
MAPT P10636 5/20 0.66
KMT2A Q03164 4/20 0.66
LMNA P02545 5/20 0.65
MEN1 O00255 2/20 0.60
HPGD P15428 2/20 0.60
THRB P10828 1/20 0.60
TSHR P16473 6/20 0.58
TDP1 Q9NUW8 2/20 0.58
ESR1 P03372 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
CHRM1 P11229 1/20 0.58
SLC6A2 P23975 1/20 0.58
KDR P35968 1/20 0.58
STS P08842 1/20 0.56
ELANE P08246 1/20 0.54
PRTN3 P24158 1/20 0.54
MAPK1 P28482 2/20 0.53
CYP3A4 P08684 2/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL7621530 0.91 KMT2A (0.60) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL8208952 0.89 LMNA (0.77) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL23553004 0.89 LMNA (0.77) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL1547982 0.89 MAPT (0.57) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL19373814 0.89 MAPT (0.70) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL27872796 0.87 LMNA (0.74) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL27982583 0.87 ALDH1A1 (0.77) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL9856921 0.86 LMNA (0.72) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL15315055 0.85 LMNA (0.71) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL6565192 0.84 TSHR (0.60) ALDH1A1MAPTKMT2ALMNAMEN1

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
EP-0181404-B1 PHTHALATE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-02-07 EP disclosed
EP-0181404-A1 PHTHALATE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-05-21 EP disclosed