SCHEMBL20134702

SCHEMBL20134702

CC(C)(C)[Si](C)(C)OCCC(O)c1ccc(Cl)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.37
SLC6A4 P31645 6/20 0.32
SLC6A2 P23975 5/20 0.32
SLC6A3 Q01959 5/20 0.32
TRPV1 Q8NER1 1/20 0.32
APP P05067 1/20 0.32
FFAR1 O14842 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
GPR139 Q6DWJ6 2/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL15260808 1.00 FAAH (0.37) FAAHSLC6A4SLC6A2SLC6A3TRPV1
SCHEMBL15261521 0.87 FAAH (0.38) FAAHSLC6A4SLC6A2SLC6A3TRPV1
SCHEMBL30467136 0.87 FAAH (0.38) FAAHSLC6A4SLC6A2SLC6A3TRPV1
SCHEMBL15229243 0.87 FAAH (0.38) FAAHSLC6A4SLC6A2SLC6A3TRPV1
SCHEMBL15274780 0.86 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3APPCCNA2
SCHEMBL12450723 0.82 CES2 (0.32) CYP3A4CYP2C9
SCHEMBL15232113 0.79 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL15229305 0.79 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL15260365 0.79 FAAH (0.39) FAAHTRPV1APPCCNA2CDK2
SCHEMBL20134701 0.77 SLC6A2 (0.40) FAAHSLC6A4SLC6A2SLC6A3APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106349217-B Serine/threonine kinase inhibitors 阵列生物制药公司 2020-08-28 CN disclosed
EP-3321262-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2018-05-16 EP disclosed