SCHEMBL6677336

SCHEMBL6677336

CCOC(=O)C(C)(C)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
HTR2A P28223 1/20 0.61
PMP22 Q01453 1/20 0.61
PPARA Q07869 1/20 0.61
CNR2 P34972 6/20 0.57
OPRK1 P41145 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RORC P51449 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46

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
SCHEMBL6279399 0.85 CNR2 (0.58) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL6812442 0.84 TSHR (0.59) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL4115523 0.84 CNR2 (0.53) CYP3A4TSHRCNR2KMT2ARORC
SCHEMBL10169477 0.83 LMNA (0.49) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL27980232 0.83 CNR2 (0.48) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL2490473 0.83 CYP3A4 (0.58) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL31619474 0.83 TSHR (0.58) ABCB11CYP1A2CYP3A4TSHRHTR2A
Chlorobenzilate SCHEMBL73255 0.82 MEN1 (0.60) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL10817757 0.82 TSHR (0.57) ABCB11CYP1A2CYP3A4TSHRHTR2A
Chlorobenzilate SCHEMBL28048828 0.82 MEN1 (0.60) ABCB11CYP1A2CYP3A4TSHRHTR2A

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
CN-106268466-A One construction site blender automatic discharge unit and method of work thereof 徐州工程学院 2017-01-04 CN claimed
CN-106268466-A One construction site blender automatic discharge unit and method of work thereof 徐州工程学院 2017-01-04 CN disclosed
WO-2004046080-A1 METHOD OF PREPARATION OF DERIVATIVES OF SUBSTITUTED 2-ARYL AIKANOIC ACIDS ZENTIVA, A.S. (SK) 2004-06-03 WO disclosed