SCHEMBL29914159

SCHEMBL29914159

CCCCCCCCCc1cccc(OC(=O)NCC2(C)CC(NC(=O)Oc3cccc(CCCCCCCCC)c3CCCCCCCCC)CC(C)(C)C2)c1CCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
CNR1 P21554 5/20 0.37
CNR2 P34972 5/20 0.37
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
EPHX1 P07099 1/20 0.34
USP2 O75604 1/20 0.33
ELANE P08246 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL29914201 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG
SCHEMBL29914196 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG
SCHEMBL29914178 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG
SCHEMBL1953362 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG
SCHEMBL1951903 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG
SCHEMBL1955419 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG
SCHEMBL1955867 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG
SCHEMBL1952588 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG
SCHEMBL1954266 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG
SCHEMBL29914195 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG

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