SCHEMBL29914167

SCHEMBL29914167

CCCCCCCCCCCCCCCCCCc1ccccc1OC(=O)NCC1(C)CC(NC(=O)Oc2ccccc2CCCCCCCCCCCCCCCCCC)CC(C)(C)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
EPHX1 P07099 1/20 0.40
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
USP2 O75604 1/20 0.37
CNR2 P34972 3/20 0.35
CNR1 P21554 2/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL1955515 1.00 TSHR (0.51) TSHRTHRATHRBEPHX1PPARA
SCHEMBL991189 1.00 TSHR (0.51) TSHRTHRATHRBEPHX1PPARA
SCHEMBL29914187 1.00 TSHR (0.51) TSHRTHRATHRBEPHX1PPARA
SCHEMBL29914168 1.00 TSHR (0.51) TSHRTHRATHRBEPHX1PPARA
SCHEMBL29914189 1.00 TSHR (0.51) TSHRTHRATHRBEPHX1PPARA
SCHEMBL989153 1.00 TSHR (0.51) TSHRTHRATHRBEPHX1PPARA
SCHEMBL989995 1.00 TSHR (0.51) TSHRTHRATHRBEPHX1PPARA
SCHEMBL1952954 1.00 TSHR (0.51) TSHRTHRATHRBEPHX1PPARA
SCHEMBL1954827 1.00 TSHR (0.51) TSHRTHRATHRBEPHX1PPARA
SCHEMBL1955149 1.00 TSHR (0.51) TSHRTHRATHRBEPHX1PPARA

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-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP disclosed