SCHEMBL7462365

SCHEMBL7462365

CC(C)OC(=O)CSCC(C(=O)OC(C)C)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL7034586 0.91 SMN1; SMN2 (0.33) NPSR1L3MBTL1SMN1; SMN2LMNACYP1A2
SCHEMBL7027973 0.87 TSHR (0.33) NPSR1L3MBTL1LMNACYP1A2CYP2C9
SCHEMBL7460510 0.78 LMNA (0.36) NPSR1L3MBTL1SMN1; SMN2LMNACYP1A2
SCHEMBL7032515 0.77 CYP1A2 (0.35) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL7029974 0.75 CYP1A2 (0.50) L3MBTL1SMN1; SMN2LMNACYP1A2CYP2C9
SCHEMBL7470834 0.75 LMNA (0.34) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL14353167 0.74 LMNA (0.45) NPSR1L3MBTL1LMNATSHRALDH1A1
SCHEMBL7471454 0.73 LMNA (0.37) L3MBTL1SMN1; SMN2LMNACYP1A2CYP2C9
SCHEMBL7029761 0.73 CYP1A2 (0.48) L3MBTL1SMN1; SMN2LMNACYP1A2CYP2C9
SCHEMBL7035278 0.73 CYP1A2 (0.36) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859774-B1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 2002-04-03 EP disclosed
EP-0859774-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 1998-08-26 EP disclosed
WO-1997016449-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-09 WO disclosed