SCHEMBL6135975

SCHEMBL6135975

CCCCOc1ccc(Oc2c(I)cc(C(=O)OC)cc2I)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
ESR1 P03372 3/20 0.50
RAB9A P51151 1/20 0.48
ALPL P05186 1/20 0.46
LTA4H P09960 2/20 0.45
MMP1 P03956 2/20 0.45
MGLL Q99685 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
PLA2G4B P0C869 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
SCHEMBL6135940 0.95 MAPT (0.53) MAPTESR1RAB9AALPLLTA4H
SCHEMBL6135858 0.89 MAPT (0.47) MAPTRAB9ALTA4HTSHR
SCHEMBL6723520 0.86 TP53 (0.57) LTA4HTP53TSHRPLA2G4B
SCHEMBL237992 0.83 CA1 (0.58) MAPT
SCHEMBL6136142 0.83 POLB (0.44) MAPTTSHR
SCHEMBL6135981 0.81 PCNA (0.56)
SCHEMBL6725224 0.81 KMT2A (0.52) LTA4HTP53TSHRPLA2G4B
SCHEMBL6135987 0.80 TSHR (0.52) MAPTRAB9ATSHR
SCHEMBL7937774 0.79 MAPT (0.82) MAPTRAB9AMMP1MGLLTP53
SCHEMBL2771698 0.78 MAPT (0.58) MAPTESR1RAB9AALPLMMP1

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
EP-0954299-B1 THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY FOR TREATING MALIGNANT TUMOURS OCTAMER INC (US) 2005-07-27 EP disclosed
US-6326402-B1 AROMATIC ESTER COMPOUND OCTAMER, INC. 2001-12-04 US disclosed
EP-0954299-A4 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY OCTAMER INC (US) 2000-09-06 EP disclosed
US-6017958-A A THERAPEUTIC TREATMENT USING A METHYL ALKYLOXY- OR THIO-PHENYL BENZOATE, AS POTENT, SELECTIVE AND NON-TOXIC ANTI-TUMOR AGENTS FOR TREATING CANCER OCTAMER, INC. (US) 2000-01-25 US disclosed
EP-0954299-A1 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY Octamer, Inc. (US) 1999-11-10 EP disclosed
US-5736576-A ADMINISTERING METHYL 3,5-DIIODO-4-(4*-METHOXYPHENOXY)BENZOATE OCTAMER, INC. (US) 1998-04-07 US disclosed
WO-1997046228-A1 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY OCTAMER, INC. (US) 1997-12-11 WO disclosed