SCHEMBL2568009

SCHEMBL2568009

CCOC(=O)Oc1ccc(Br)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 2/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 4/20 0.40
ALOX5 P09917 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SOAT1 P35610 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL9817941 0.80 NPC1 (0.41) ALDH1A1CYP1A2KDM4ENPC1MAPT
SCHEMBL27694510 0.79 ESR1 (0.41) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL27714301 0.76 BCL9 (0.41) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL27365753 0.76 CES2 (0.43) POLBALDH1A1ALOX5KMT2AMEN1
SCHEMBL3159329 0.75 CUL4A (0.41) CUL4AALDH1A1ALOX5KDM4EMAPT
SCHEMBL2483769 0.75 CUL4A (0.47) CUL4APOLBALDH1A1ALOX5KMT2A
SCHEMBL2567583 0.74 DAO (0.48) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL20582495 0.73 CES2 (0.41) ALDH1A1ALOX5KMT2AKDM4EL3MBTL1
SCHEMBL2482717 0.72 CUL4A (0.45) CUL4APOLBALDH1A1KMT2AMEN1
SCHEMBL9817948 0.72 CES2 (0.43) POLBALDH1A1KMT2AMEN1KDM4E

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-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed