SCHEMBL14224315

SCHEMBL14224315

C=C1CC(OC(=O)c2ccccc2)CC(C)(C)N1OC(=O)CCCCC(=O)ON1C(=C)CC(OC(=O)c2ccccc2)CC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
KMT2A Q03164 4/20 0.46
GAA P10253 2/20 0.45
MEN1 O00255 2/20 0.43
CHRNA7 P36544 4/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL7642945 0.82 TSHR (0.73) TSHRKMT2AGAAMEN1CHRNA7
SCHEMBL1138704 0.81 TSHR (0.71) TSHRKMT2AGAAMEN1CHRNA7
SCHEMBL14365439 0.79 TSHR (0.68) TSHRKMT2AGAAMEN1CHRNA7
SCHEMBL14066744 0.78 KMT2A (0.42) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL1138523 0.77 TSHR (0.65) TSHRKMT2AGAAMEN1CHRNA7
SCHEMBL28462516 0.76 TSHR (0.57) TSHRKMT2AGAAMEN1CHRNA7
SCHEMBL1939153 0.74 KMT2A (0.71) TSHRKMT2AGAAMEN1CHRNA7
SCHEMBL14066587 0.73 NAAA (0.45) KMT2AGAAMEN1
SCHEMBL9314891 0.73 TSHR (0.54) TSHRKMT2AGAAMEN1CHRNA7
SCHEMBL13720347 0.73 GAA (0.58) TSHRKMT2AGAAMEN1CHRNA7

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-7358365-B2 Process for the controlled increase in the molecular weight of polyethylenes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-04-15 US disclosed