SCHEMBL8113403

SCHEMBL8113403

COc1ccc(CCC(=O)ON)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.57
KDM4E B2RXH2 1/20 0.57
CYP19A1 P11511 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
ALDH1A1 P00352 1/20 0.51
AOC3 Q16853 1/20 0.51
LDHA P00338 1/20 0.51
ALOX5 P09917 1/20 0.51
OR51E2 Q9H255 1/20 0.51
LTA4H P09960 1/20 0.51
REN P00797 1/20 0.51
CTSD P07339 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL3940302 0.87 KMT2A (0.59) ATMKDM4EKMT2AMEN1CA12
SCHEMBL1032004 0.85 KDM4E (0.62) ATMKDM4ECYP19A1KMT2AMEN1
SCHEMBL28176844 0.85 KDM4E (0.62) ATMKDM4ECYP19A1KMT2AMEN1
Hydrochloric Acid SCHEMBL10448977 0.83 KDM4E (0.61) ATMKDM4ECYP19A1KMT2AMEN1
SCHEMBL3579994 0.83 ALOX5 (0.66) ATMKDM4EKMT2AMEN1CA12
SCHEMBL491276 0.83 CYP4F2 (0.59) ATMKDM4EKMT2AMEN1CA12
SCHEMBL347209 0.81 FFAR4 (0.61) ATMKDM4EKMT2AMEN1CA12
SCHEMBL269005 0.81 NPC1 (0.61) ATMKDM4ECYP19A1KMT2AMEN1
SCHEMBL22345345 0.81 ALOX5 (0.56) KMT2AMEN1ALDH1A1ALOX5LTA4H
SCHEMBL29641938 0.80 ALOX5 (0.54) KMT2AMEN1ALDH1A1ALOX5LTA4H

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
EP-1004581-A2 Process for the preparation of thalidomide CELGENE CORPORATION (US) 2000-05-31 EP disclosed