SCHEMBL7688616

SCHEMBL7688616

ClC(Cl)COc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
SCN4A P35499 4/20 0.54
KCNA3 P22001 1/20 0.50
MAOA P21397 1/20 0.50
PTGS1 P23219 1/20 0.50
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
CYP2D6 P10635 1/20 0.44
ADRB3 P13945 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
Acetic Acid SCHEMBL10562086 0.88 MTNR1A (0.57) LMNASCN4AMAOAPTGS1CYP2C9
SCHEMBL9808111 0.85 LMNA (0.56) LMNASCN4AKCNA3MAOAPTGS1
Trifluoroacetic Acid SCHEMBL2335690 0.83 HDAC1 (0.47) LMNASCN4ACYP2C9CYP2C19PPARG
SCHEMBL421712 0.81 LMNA (0.63) LMNASCN4AKCNA3MAOAPTGS1
SCHEMBL27608630 0.81 LMNA (0.52) LMNASCN4AKCNA3MAOAPTGS1
SCHEMBL20379107 0.81 LMNA (0.63) LMNASCN4AKCNA3MAOAPTGS1
SCHEMBL9123715 0.81 LMNA (0.63) LMNASCN4AKCNA3MAOAPTGS1
SCHEMBL7100611 0.81 LMNA (0.52) LMNASCN4AKCNA3MAOAPTGS1
SCHEMBL15349936 0.79 LMNA (0.50) LMNASCN4AKCNA3MAOAPTGS1
SCHEMBL9486396 0.78 LMNA (0.53) LMNASCN4AKCNA3MAOAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210124-A2 TARGETING MULTIMERIC IMAGING AGENTS THROUGH MULTILOCUS BINDING Epix Medical, Inc. (US) 2002-06-05 EP disclosed
US-6313305-B1 ANTIBIOTICS, BACTERICIDES HOECHST MARION ROUSSEL (FR) 2001-11-06 US disclosed
WO-2001008712-A2 TARGETING MULTIMERIC IMAGING AGENTS THROUGH MULTILOCUS BINDING EPIX MEDICAL, INC. (US) 2001-02-08 WO disclosed
US-5936083-A BACTERICIDES Uclaf, Roussel (FR) 1999-08-10 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-5710147-A ANTIBIOTICS ROUSSEL UCLAF (FR) 1998-01-20 US disclosed
US-5621095-A BACTERICIDES ROUSSEL UCLAF (FR) 1997-04-15 US disclosed
US-5587372-A BACERICIDES ROUSSEL UCLAF (FR) 1996-12-24 US disclosed
US-5541318-A Cephalosporins ROUSSEL UCLAF (FR) 1996-07-30 US disclosed
US-5538963-A BACTERICIDE ANTIBIOTICS ROUSSEL UCLAF (FR) 1996-07-23 US disclosed
US-5455238-A Bactericides ROUSSEL UCLAF (FR) 1995-10-03 US disclosed
US-5416080-A Cephalosporins ROUSSEL-UCLAF (FR) 1995-05-16 US disclosed
US-5397779-A Cephalosporins ROUSSEL-UCLAF (FR) 1995-03-14 US disclosed
US-5378697-A BACTERICIDES ROUSSEL-UCLAF (FR) 1995-01-03 US disclosed
US-5373001-A Antibiotics ROUSSEL UCLAF (FR) 1994-12-13 US disclosed
EP-0115969-A1 Penem compounds, their preparation , formulations containing the same and their use in combating bacteria SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1984-08-15 EP disclosed