SCHEMBL9521098

SCHEMBL9521098

CC(C)(C)OC(=O)CC(=O)c1ccc(C(C)(C)O[SiH2]C(C)(C)C)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GABRA5 P31644 1/20 0.32
MAPT P10636 1/20 0.31
PTPRC P08575 2/20 0.31
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
GRIN2B Q13224 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL9879352 0.91 KDM4E (0.31) KDM4EMAPT
SCHEMBL9521933 0.79 MAPK1 (0.50) KDM4EALDH1A1MAPTCA12CA1
SCHEMBL29209494 0.75 GAA (0.51) ALDH1A1MAPT
SCHEMBL14740772 0.72 HCAR2 (0.44) KDM4EALDH1A1PTPRCCCNB2CCNE2
SCHEMBL9521084 0.71 KDM4E (0.32) KDM4EALDH1A1GABRA5PTPRCGRIN2B
SCHEMBL9521091 0.69 GABRA5 (0.36) KDM4EALDH1A1GABRA5PTPRCCCNB2
SCHEMBL29209521 0.69 GRIN2B (0.41) KDM4EALDH1A1GABRA5GRIN2BCA12
SCHEMBL20304522 0.69 KMT2A (0.43) KDM4EALDH1A1MAPT
SCHEMBL5158352 0.68 MGAM (0.52) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL5158637 0.68 PLOD2 (0.59) ALDH1A1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0332332-B1 HYPOGLYCEMIC THIAZOLIDINEDIONE DERIVATIVES PFIZER INC. (US) 1993-03-31 EP disclosed
US-5130379-A Anticholesterol agents and antidiabetic agents PFIZER INC. (US) 1992-07-14 US disclosed
US-5036079-A Anticholesterol PFIZER INC. (US) 1991-07-30 US disclosed
EP-0332332-A1 Hypoglycemic thiazolidinedione derivatives PFIZER INC. (US) 1989-09-13 EP disclosed