SCHEMBL5014840

SCHEMBL5014840

COc1ccc(Oc2c(I)cc(CC=O)cc2I)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCNA P12004 12/20 0.44
THRA P10827 4/20 0.41
THRB P10828 4/20 0.41
RXRA P19793 2/20 0.41
PPARG P37231 2/20 0.41
POLB P06746 2/20 0.41
HIF1A Q16665 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
AR P10275 1/20 0.41
CYP2C9 P11712 1/20 0.41
GABRA1 P14867 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL8425480 0.86 PCNA (0.48) PCNATHRATHRBRXRAPPARG
SCHEMBL4422901 0.82 THRB (0.46) PCNATHRATHRBRXRAPPARG
SCHEMBL5016597 0.82 ALDH1A1 (0.46) PCNATHRBSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL5024604 0.82 TUBB4A (0.50) PCNATHRATHRBRXRAPPARG
SCHEMBL6535223 0.80 PCNA (0.49) PCNATHRATHRBRXRAPPARG
SCHEMBL5146420 0.80 ALDH1A1 (0.55) LMNACYP1A2CYP2C9ALDH1A1TSHR
SCHEMBL7937662 0.80 PCNA (0.47) PCNATHRATHRBRXRAPPARG
SCHEMBL4428790 0.78 THRB (0.52) PCNATHRATHRBRXRAPPARG
SCHEMBL14484752 0.78 THRA (0.68) PCNATHRATHRBRXRAPPARG
SCHEMBL5024605 0.78 TUBB4A (0.43) SMN1; SMN2LMNAHSD17B10MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000009114-A1 METHODS FOR TREATING VIRAL INFECTIONS USING A COMPOUND CAPABLE OF INHIBITING MICROTUBULES OCTAMER, INC. (US) 2000-02-24 WO claimed
WO-2008030892-A2 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-03-13 WO disclosed
EP-1024800-A1 THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY TO TREAT MALIGNANT TUMORS OCTAMER, INC. (US) 2000-08-09 EP disclosed
WO-1999020263-A1 THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY TO TREAT MALIGNANT TUMORS OCTAMER, INC. (US) 1999-04-29 WO disclosed