SCHEMBL8916141

SCHEMBL8916141

CCC(=O)OC(C)(C)C.O=C(OCc1ccccc1)N1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ HTT P42858 1/20 0.53
▸ CYP2C19 P33261 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TSHR P16473 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ PDK1 Q15118 1/20 0.47
▸ PDK2 Q15119 1/20 0.47
▸ PDK3 Q15120 1/20 0.47
▸ PDK4 Q16654 1/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45

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
SCHEMBL1842426 0.89 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL25180666 0.87 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL10316948 0.87 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16847349 0.85 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL18729222 0.85 CA1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL19133638 0.85 CA1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Formic Acid SCHEMBL31505447 0.84 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL13533885 0.84 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL13100989 0.84 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7958941 0.84 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5625075-A Metal radionuclide chelating compounds for improved chelation kinetics NEORX CORPORATION (US) 1997-04-29 — — US disclosed
US-5436352-A Metal radionuclide chelating compounds for improved chelation kinetics NEORX CORPORATION (US) 1995-07-25 — — US disclosed
EP-0344724-B1 METAL RADIONUCLIDE CHELATING COMPOUNDS FOR IMPROVED CHELATION KINETICS NEORX CORPORATION (US) 1993-08-11 — — EP disclosed
US-5075099-A Metal radionuclide chelating compounds for improved chelation kinetics NEORX CORPORATION (US) 1991-12-24 — — US disclosed
US-4988496-A Metal radionuclide chelating compounds for improved chelation kinetics NEORX CORPORATION (US) 1991-01-29 — — US disclosed
EP-0344724-A2 Metal radionuclide chelating compounds for improved chelation kinetics NEORX CORPORATION (US) 1989-12-06 — — EP disclosed
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