SCHEMBL20385932

SCHEMBL20385932

Cc1cc(C[C@@H](C)N)cc(I)c1Oc1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PCNA P12004 11/20 0.62
▸ LIG1 P18858 1/20 0.62
▸ THRB P10828 3/20 0.58
▸ THRA P10827 2/20 0.58
▸ TAAR1 Q96RJ0 3/20 0.47
▸ SLC6A2 P23975 1/20 0.47

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
SCHEMBL25773001 0.92 PCNA (0.72) PCNALIG1THRBTHRATAAR1
SCHEMBL22382798 0.87 PCNA (0.83) PCNALIG1THRBTHRA
SCHEMBL20385967 0.86 THRB (0.54) PCNALIG1THRBTHRATAAR1
SCHEMBL19048382 0.85 PCNA (0.84) PCNALIG1THRBTHRA
SCHEMBL4449390 0.79 PCNA (0.74) PCNALIG1THRBTHRA
SCHEMBL16124413 0.78 PCNA (0.78) PCNALIG1THRBTHRA
SCHEMBL25773004 0.78 TAAR1 (0.64) PCNALIG1TAAR1SLC6A2
SCHEMBL16124414 0.78 PCNA (0.78) PCNALIG1THRBTHRA
SCHEMBL12726457 0.78 THRB (0.70) PCNALIG1THRBTHRA
SCHEMBL25772999 0.78 THRB (0.70) PCNALIG1THRBTHRA

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
EP-3126324-B1 A PROCESS FOR PREPARATION OF LEVOTHYROXINE AND SALTS THEREOF LUPIN LTD (IN) 2018-07-18 — — EP disclosed
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