SCHEMBL14230053

SCHEMBL14230053

Oc1c(I)cc(Oc2ccc(CCNCl)cc2)cc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ AGTR2 P50052 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TAAR5 O14804 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ PLAAT3 P53816 2/20 0.37
▸ PLAAT5 Q96KN8 2/20 0.37
▸ PLAAT2 Q9NWW9 2/20 0.37
▸ PLAAT4 Q9UL19 2/20 0.37

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
SCHEMBL14230076 0.87 THRB (0.46) PPARGTHRATHRBRXRAIGF1R
SCHEMBL14230054 0.84 PPARG (0.53) PPARGITGB3ITGAVTHRATHRB
SCHEMBL14230043 0.82 THRB (0.56) PPARGITGB3ITGAVTHRATHRB
SCHEMBL14230075 0.80 ESR1 (0.52) IGF1RALOX15MEN1KMT2ALTA4H
SCHEMBL13886594 0.80 TAAR1 (0.57) ALOX15MEN1KMT2ATAAR5TAAR1
SCHEMBL15684887 0.78 CARM1 (0.45) TAAR1EPHX2PLAAT3PLAAT5PLAAT2
SCHEMBL22311203 0.77 PPARG (0.45) PPARGITGB3ITGAVTHRATHRB
SCHEMBL13886703 0.76 CA2 (0.47) KMT2AEPHX2PLAAT3PLAAT5PLAAT2
SCHEMBL17874460 0.76 FFAR1 (0.64) PPARGITGB3ITGAVTHRATHRB
SCHEMBL22311194 0.76 ST14 (0.66) PPARGITGB3ITGAVTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 — — US disclosed
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