SCHEMBL10645501

SCHEMBL10645501

CCOC(=O)c1coc(Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
IDH1 O75874 1/20 0.49
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NAMPT P43490 1/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43

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
SCHEMBL10649926 0.80 IDH1 (0.58) IDH1MEN1KMT2ATSHR
SCHEMBL1935834 0.80 MAPT (0.48) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL6620223 0.79 MAPT (0.46) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL13141321 0.79 MAPT (0.54) SMN1; SMN2CYP4F2CYP4A11MEN1KMT2A
Hydrochloric Acid SCHEMBL4677525 0.79 IDH1 (0.57) IDH1MEN1KMT2ATSHR
SCHEMBL28150896 0.78 IDH1 (0.53) IDH1
SCHEMBL27262070 0.78 TNKS (0.50) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL1934170 0.78 MAPT (0.54) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL23188993 0.77 PLA2G2A (0.56) SMN1; SMN2IDH1MEN1KMT2AMAPT
SCHEMBL1936827 0.77 MAPT (0.47) SMN1; SMN2MEN1KMT2AMAPTNPC1

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
EP-0117563-B1 PRODUCTION OF ALKYL-5-SUBSTITUTED-3-FUROATE COMPOUNDS BIO-UCLAF CORPORATION (US) 1988-02-03 EP disclosed
US-4477679-A Production of alkyl-5-substituted-3-furoate compounds CPC INTERNATIONAL INC. (US) 1984-10-16 US disclosed
EP-0117563-A2 Production of alkyl-5-substituted-3-furoate compounds BIO-UCLAF CORPORATION (US) 1984-09-05 EP disclosed