SCHEMBL8626583

SCHEMBL8626583

CCOC(=O)COc1ccc(CCC(=O)OCc2ccccc2)cc1.O=C(CCc1ccc(O)cc1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.54
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
HPGD P15428 2/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
LTA4H P09960 5/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL8550447 0.96 ABCB1 (0.57) ABCB1FFAR1FFAR4MEN1GAA
SCHEMBL8625075 0.87 ALDH1A1 (0.59) ABCB1GAAHPGDLTA4HMAPT
SCHEMBL3091164 0.86 FFAR1 (0.68) FFAR1FFAR4CYP4F2CYP4A11LTA4H
Raspberryketone SCHEMBL28368038 0.85 ABCB1 (0.53) ABCB1FFAR1FFAR4MEN1GAA
SCHEMBL8011529 0.84 LMNA (0.62) MEN1GAAKMT2AMAPTKDM4E
SCHEMBL8625079 0.84 KMT2A (0.60) ABCB1MEN1GAAKMT2AHPGD
SCHEMBL782070 0.83 FFAR1 (0.64) FFAR1FFAR4MEN1GAAKMT2A
SCHEMBL305392 0.83 TDP1 (0.68) FFAR1FFAR4ALDH1A1TDP1
SCHEMBL2773462 0.82 FFAR1 (0.68) FFAR1FFAR4CYP4F2CYP4A11ALDH1A1
SCHEMBL783355 0.82 FFAR1 (0.52) FFAR1FFAR4MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817677-A ANTITHROMBOSIS AGENTS DR. KARL THOMAE GMBH (DE) 1998-10-06 US disclosed