SCHEMBL7698795

SCHEMBL7698795

CCc1c(Cc2[nH]c(C(=O)O)c(C)c2CCCOC(C)=O)[nH]c(Cc2[nH]c(C(=O)O)c(C)c2CCCOC(C)=O)c1CC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.41
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
STAT1 P42224 1/20 0.34
MCL1 Q07820 7/20 0.32
BCL2 P10415 2/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
CYP2C19 P33261 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
SCHEMBL8721857 0.90 NPSR1 (0.39) NPSR1TSHRMEN1GAAALOX12
SCHEMBL7668283 0.82 NPSR1 (0.43) NPSR1TSHRMEN1GAAALOX12
SCHEMBL7691322 0.82 NPSR1 (0.60) NPSR1TSHRMEN1GAAALOX12
SCHEMBL5772424 0.82 LMNA (0.49) NPSR1TSHRMEN1GAAALOX12
SCHEMBL8689680 0.78 RAB9A (0.35) NPSR1TSHRMEN1GAAALOX12
SCHEMBL9423133 0.77 TSHR (0.47) NPSR1TSHRMEN1GAAALOX12
SCHEMBL8719719 0.76 NPSR1 (0.54) NPSR1TSHRMEN1GAAALOX12
SCHEMBL6088676 0.75 NPSR1 (0.43) NPSR1TSHRLMNACYP1A2CYP2C9
SCHEMBL8632439 0.73 NPSR1 (0.65) NPSR1TSHRMEN1GAAALOX12
SCHEMBL9100383 0.72 IGF1R (0.33) NPSR1TSHRMEN1GAAALOX12

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-0623134-B1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS UNIV TEXAS (US) 2002-11-06 EP disclosed
US-5569759-A MAGNETIC RESONANCE IMAGING; TUMOR THERAPY BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 1996-10-29 US disclosed
US-5475104-A Useful in magnetic resonance imaging; detection tumors, cancer cells; transition and lanthanide metals BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-12-12 US disclosed
US-5451576-A Tumor imaging and treatment by water soluble texaphyrin metal complexes BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-09-19 US disclosed
US-5439570-A Destroying tumors, viruses; magnetic resonance imaging BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-08-08 US disclosed
US-5432171-A Water soluble texaphyrin metal complexes for viral deactivation BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-07-11 US disclosed
EP-0623134-A1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-11-09 EP disclosed
US-5252720-A Medical uses BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-10-12 US disclosed
WO-1993014093-A1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-07-22 WO disclosed