SCHEMBL7960002

SCHEMBL7960002

COCCOCOc1cc(C=O)cc(Br)c1OCOCCOC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.50
MAPK1 P28482 3/20 0.50
MAPT P10636 5/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
HTT P42858 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 3/20 0.39
POLB P06746 3/20 0.38
HSD17B10 Q99714 1/20 0.37
FDPS P14324 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL9745831 0.93 ALDH1A1 (0.59) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL7951806 0.90 FDPS (0.41) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL23202773 0.87 ALDH1A1 (0.56) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL7962228 0.86 FDPS (0.45) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL7951853 0.84 ALDH1A1 (0.50) ALDH1A1MAPK1MAPTLMNAHTT
SCHEMBL7962354 0.83 FDPS (0.37) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL7959829 0.83 ALDH1A1 (0.40) ALDH1A1MAPK1MAPTLMNAMEN1
SCHEMBL7437188 0.83 TNFRSF1A (0.47) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL2709918 0.82 FDPS (0.47) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL2552700 0.82 FDPS (0.48) ALDH1A1MAPK1MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313305-B1 ANTIBIOTICS, BACTERICIDES HOECHST MARION ROUSSEL (FR) 2001-11-06 US disclosed
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
US-5587372-A BACERICIDES ROUSSEL UCLAF (FR) 1996-12-24 US disclosed
US-5455238-A Bactericides ROUSSEL UCLAF (FR) 1995-10-03 US disclosed