SCHEMBL7668283

SCHEMBL7668283

CCc1c(Cc2[nH]c(C(=O)O)c(C)c2CCCO)[nH]c(Cc2[nH]c(C(=O)O)c(C)c2CCCO)c1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.33
DHODH Q02127 1/20 0.32
MAPT P10636 1/20 0.32
STAT1 P42224 1/20 0.32
RAB9A P51151 1/20 0.32
PRNP P04156 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPARG P37231 1/20 0.31
HIF1A Q16665 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL13228906 0.93 NPSR1 (0.44) NPSR1MEN1GAATSHRALOX12
SCHEMBL8686610 0.88 NPSR1 (0.38) NPSR1MEN1GAATSHRALOX12
SCHEMBL5772424 0.88 LMNA (0.49) NPSR1MEN1GAATSHRALOX12
SCHEMBL7698795 0.82 NPSR1 (0.44) NPSR1MEN1GAATSHRALOX12
SCHEMBL8686608 0.80 LMNA (0.38) NPSR1MEN1GAATSHRALOX12
SCHEMBL7631227 0.78 RAB9A (0.64) NPSR1MEN1GAATSHRALOX12
SCHEMBL9423133 0.77 TSHR (0.47) NPSR1MEN1GAATSHRALOX12
SCHEMBL4107546 0.77 P2RX7 (0.34) NPSR1MEN1GAATSHRALOX12
SCHEMBL25047451 0.76 MEN1 (0.51) NPSR1MEN1GAATSHRALOX12
SCHEMBL8632439 0.76 NPSR1 (0.65) NPSR1MEN1GAATSHRALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745085-B1 TEXAPHYRIN METAL COMPLEXES HAVING IMPROVED FUNCTIONALIZATION UNIV TEXAS (US) 2002-05-22 EP disclosed
US-5601802-A ADMINISTERING A TEXAPHYRIN PHARMACYCLICS, INC. (US) 1997-02-11 US disclosed
US-5599923-A USEFUL FOR LOCALIZATION, MAGNETIC RESONANCE IMAGING, RADIOSENSITIZATION, RADIATION THERAPY, FLUORESCENCE IMAGING, AND PHOTODYNAMIC THERAPY BOARD OF REGENTS, UNIVERSITY OF TX (US) 1997-02-04 US disclosed
US-5599928-A USEFUL FOR LOCALIZATION, MAGNETIC RESONANCE IMAGING, RADIOSENSITIZATION, RADIATION THERAPY, FLUORESCENCE IMAGING, AND PHOTODYNAMIC THERAPY PHARMACYCLICS, INC. (US) 1997-02-04 US disclosed
US-5591422-A SENSITIZERS FOR RADIATION THERAPY PHARMACYCLICS, INC. (US) 1997-01-07 US disclosed
EP-0745085-A1 TEXAPHYRIN METAL COMPLEXES HAVING IMPROVED FUNCTIONALIZATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-12-04 EP disclosed
US-5559207-A PORPHYRIN DERIVATIVES COMPLEXED WITH LANTHANIDE METALS, HYDROLYSIS OF RNA PHOSPHATE ESTERS, MEDICAL TREATMENTS AND THERAPIES DEPENDENT ON SUCH HYDROLYSIS BOARD OF REGENTS, UNIVERSITY OF TEXAS (US) 1996-09-24 US disclosed
US-5457183-A Radiosensitizers BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-10-10 US disclosed
WO-1995021845-A1 TEXAPHYRIN METAL COMPLEXES HAVING IMPROVED FUNCTIONALIZATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-08-17 WO disclosed