SCHEMBL8377236

SCHEMBL8377236

COCCOc1cc(C=O)c(OC)c(Cl)c1OCCOC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.39
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 3/20 0.39
TNFRSF1A P19438 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 3/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
PRKDC P78527 1/20 0.36
ERN1 O75460 2/20 0.36
TUBB1 Q9H4B7 1/20 0.35

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
SCHEMBL8382228 0.82 PRKDC (0.42) FDPSALDH1A1TDP1TNFRSF1AKDM4E
SCHEMBL8377250 0.82 FDPS (0.39) FDPSALDH1A1TDP1TNFRSF1AKDM4E
SCHEMBL8381731 0.81 ALDH1A1 (0.43) FDPSALDH1A1TDP1TNFRSF1AKDM4E
SCHEMBL8381920 0.80 TNFRSF1A (0.47) FDPSALDH1A1TDP1TNFRSF1AKDM4E
SCHEMBL30784977 0.77 ALDH1A1 (0.52) FDPSALDH1A1TDP1KDM4ETSHR
SCHEMBL20982737 0.76 ALDH1A1 (0.62) FDPSALDH1A1TDP1KDM4ETSHR
SCHEMBL7962499 0.75 ALDH1A1 (0.35) ALDH1A1TDP1TNFRSF1AKDM4ETSHR
SCHEMBL8652617 0.74 ALDH1A1 (0.66) FDPSALDH1A1TDP1KDM4ETSHR
SCHEMBL8378623 0.74 TNFRSF1A (0.37) ALDH1A1TDP1TNFRSF1AHPGDSMN1; SMN2
SCHEMBL7951953 0.74 ALDH1A1 (0.34) ALDH1A1TDP1KDM4ETSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883248-A QUATERNARY AMMONIUM INTERMEDIATES ROUSSEL UCLAF (FR) 1999-03-16 US disclosed
US-5763617-A Cephalosporins ROUSSEL UCLAF (FR) 1998-06-09 US disclosed
US-5728828-A A 3-(3-CHLORO- OR IODOPROP-1-EN-1-YL),7-(2-AMINOTHIAZOL-4-YL) ((CARBOXY)(PHENYL)METHOXYIMINO)ACETAMIDO-3-CEPHEM; GRAMNEGATIVE AND -POSITIVE BACTERIA, ESP. ANTIBIOTIC-RESISTANCE STAPHYLOCOCCUS ROUSSEL UCLAF (FR) 1998-03-17 US disclosed
US-5712266-A Cephalosporins ROUSSEL UCLAF (FR) 1998-01-27 US disclosed