SCHEMBL8850353

SCHEMBL8850353

C=C(C)C(=O)Oc1ccc(C(CC)c2ccc(OC(=O)C(=C)C)cc2CC(C)O)c(CC(C)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.41
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
PLA2G1B P04054 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5418178 0.81 ELANE (0.39) ELANEALDH1A1KDM4EKMT2AATM
SCHEMBL28807130 0.79 ELANE (0.38) ELANEALDH1A1KDM4EGAAKMT2A
SCHEMBL7576563 0.78 ELANE (0.43) ELANEKDM4EGLAKMT2AATM
SCHEMBL10632085 0.77 ELANE (0.36) ELANEKDM4EKMT2AATMPOLB
SCHEMBL10632078 0.76 ELANE (0.36) ELANEALDH1A1KDM4EKMT2APOLB
SCHEMBL19215259 0.74 ELANE (0.50) ELANEKMT2AATMPOLBTSHR
SCHEMBL4122942 0.72 ELANE (0.55) ELANEALDH1A1KMT2AATMPOLB
SCHEMBL10204670 0.72 ACHE (0.43) ELANE
SCHEMBL21580266 0.71 ELANE (0.40) ELANEALDH1A1KDM4EGLAGAA
SCHEMBL27715800 0.71 ELANE (0.46) ELANEALDH1A1KDM4EGLAGAA

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-0583471-B1 PHOTOPOLYMERIZABLE ADHESIVE JAPAN INST ADVANCED DENTISTRY (JP) 1997-09-17 EP disclosed
EP-0583471-A1 PHOTOPOLYMERIZABLE ADHESIVE JAPAN INSTITUTE OF ADVANCED DENTISTRY (JP) 1994-02-23 EP disclosed